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YOHIMBINIC ACID MONOHYDRATE

Product Name YOHIMBINIC ACID MONOHYDRATE

CAS522-87-2

MFC20H24N2O3

MW340.42

¹HNMR

IR1

IR2

Mass

MS-NW-7666          
yohimbinic acid
C20H24N2O3 H2O      (Mass of molecular ion:    340)

   Source Temperature: 230 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      15.0       1.8
      17.0       2.3
      18.0       8.8
      27.0       7.9
      28.0       8.3
      29.0       8.5
      30.0       3.2
      31.0       3.4
      39.0      10.5
      40.0       2.1
      41.0      19.6
      42.0      15.2
      43.0       9.2
      44.0       8.4
      45.0       2.2
      50.0       1.2
      51.0       4.4
      52.0       2.3
      53.0       7.3
      54.0       4.1
      55.0       7.7
      56.0       2.5
      57.0       4.5
      63.0       3.1
      64.0       1.2
      65.0       4.4
      66.0       2.1
      67.0       7.9
      68.0       2.9
      69.0       2.1
      70.0       1.3
      71.0       1.0
      75.0       1.9
      76.0       2.3
      77.0      11.1
      78.0       3.3
      79.0       8.1
      80.0       2.9
      81.0       4.2
      82.0       1.6
      83.0       1.4
      88.0       1.0
      89.0       3.3
      90.0       2.2
      91.0       6.9
      92.0       4.0
      93.0       4.9
      94.0       2.6
      95.0       2.3
     101.0       2.5
     102.0       4.0
     103.0       3.5
     104.0       1.6
     105.0       2.7
     106.0       2.1
     107.0       2.4
     108.0       1.0
     109.0       2.1
     110.0       1.4
     111.0       1.7
     113.0       1.6
     114.0       2.5
     115.0      13.9
     116.0       5.3
     117.0       6.3
     118.0       2.7
     123.0       1.0
     125.0       1.1
     126.0       1.1
     127.0       5.6
     128.0      10.8
     129.0      11.8
     130.0      11.5
     131.0       3.7
     132.0       1.7
     134.0       1.4
     138.0       1.4
     139.0       1.8
     140.0       4.3
     141.0       3.6
     142.0      12.5
     143.0      18.1
     144.0      18.1
     145.0       3.2
     152.0       1.9
     153.0       1.9
     154.0      12.3
     155.0       9.5
     156.0      28.5
     157.0       9.7
     158.0       2.7
     161.0       1.1
     166.0       2.2
     167.0       8.7
     168.0      14.8
     169.0      51.6
     170.0      33.0
     171.0      10.3
     172.0       3.0
     178.0       1.3
     179.0       1.0
     180.0       5.4
     181.0       3.8
     182.0       6.2
     183.0      10.4
     184.0      26.4
     185.0       6.3
     191.0       1.0
     192.0       1.2
     193.0       2.0
     194.0       3.1
     195.0       4.5
     196.0       3.5
     197.0       5.1
     198.0       4.3
     204.0       1.3
     205.0       1.2
     206.0       2.7
     207.0       2.6
     208.0       2.5
     209.0       6.7
     210.0       5.4
     211.0       4.6
     212.0       3.8
     218.0       1.7
     219.0       2.3
     220.0       2.1
     221.0       5.9
     222.0       2.4
     223.0       6.5
     224.0       2.3
     225.0       2.0
     232.0       1.3
     233.0       1.6
     234.0       2.9
     235.0       3.0
     236.0       2.0
     237.0       2.1
     247.0       1.6
     248.0       1.2
     249.0       1.8
     251.0       2.3
     252.0       1.0
     253.0       1.9
     254.0       1.0
     255.0       1.8
     261.0       1.1
     263.0       1.3
     266.0       1.0
     267.0       3.3
     268.0       2.1
     269.0       2.0
     270.0       1.7
     271.0       1.7
     272.0       1.3
     273.0       1.8
     274.0       1.5
     275.0       2.4
     276.0       1.9
     277.0      12.2
     278.0       7.3
     279.0       2.7
     281.0       1.0
     293.0       3.6
     294.0       2.5
     295.0       6.4
     296.0       3.2
     297.0       1.2
     298.0       1.8
     311.0       3.8
     312.0       2.5
     321.0       3.1
     322.0       2.1
     323.0       2.2
     337.0       2.3
     338.0       4.2
     339.0     100.0
     340.0      93.1
     341.0      21.3
     342.0       2.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₀ H₂₄ N₂ O₃	0.053 g : 0.5 ml DMSO-d₆
yohimbinic acid

    Assign.     Shift(ppm)

      A            10.9
      B             7.339
      C             7.275
      D             6.997
      E             6.932
      F             4.123
      G             3.334
      J     *1      3.028
      K             2.86
      L     *1      2.78
      M     *2      2.60
      N     *2      2.53
      P             2.169
      Q             2.124
      R             1.830
      S             1.742
      T             1.475
      U             1.394
      V             1.248
      W             1.022
     
     SOLVENT SIGNAL AT 2.50 PPM REMOVED.
     PARTIALLY ASSIGNED

     Hz     ppm     Int.

   4335.00  10.847   1000
   2937.26   7.350    658
   2929.38   7.330    730
   2911.98   7.287    758
   2904.84   7.269    616
   2903.92   7.267    928
   2805.38   7.020    334
   2804.28   7.017    362
   2798.23   7.002    590
   2797.32   7.000    700
   2790.36   6.983    513
   2789.08   6.979    507
   2777.54   6.950    555
   2776.44   6.948    586
   2769.66   6.931    719
   2768.93   6.929    653
   2762.88   6.914    358
   2761.78   6.911    369
   1649.23   4.127    555
   1647.03   4.122    564
   1338.40   3.349    299
   1338.03   3.349    299
   1327.59   3.322    301
   1326.86   3.321    303
   1218.24   3.049    209
   1212.75   3.035    244
   1212.38   3.034    243
   1207.43   3.022    262
   1202.30   3.009    234
   1151.57   2.882    276
   1148.82   2.875    326
   1140.39   2.854    346
   1139.66   2.852    336
   1138.93   2.850    330
   1138.38   2.849    332
   1117.50   2.797    220
   1115.48   2.792    185
   1108.16   2.773    173
   1106.88   2.770    164
   1106.33   2.769    165
   1046.43   2.619    332
   1031.23   2.581    298
   1028.11   2.573    280
   1025.18   2.566    179
   1023.53   2.562    204
   1016.57   2.544    367
   1012.36   2.534    333
   1007.78   2.522    276
   1007.42   2.521    272
   1007.05   2.520    275
   1005.40   2.516    287
   1002.29   2.508    307
   1001.37   2.506    312
    997.34   2.496    339
    993.50   2.486    364
    993.13   2.485    375
    990.38   2.479    405
    877.55   2.196    225
    877.18   2.195    225
    866.93   2.170    418
    856.30   2.143    608
    853.74   2.137    449
    844.76   2.114    481
    842.20   2.108    474
    737.06   1.845    223
    736.33   1.843    218
    734.86   1.839    222
    726.44   1.818    231
    725.34   1.815    221
    723.87   1.812    228
    704.82   1.764    237
    702.44   1.758    176
    694.38   1.738    306
    692.19   1.732    279
    602.80   1.509    229
    589.43   1.475    283
    578.62   1.448    229
    577.34   1.445    217
    576.97   1.444    219
    576.61   1.443    220
    565.07   1.414    301
    564.70   1.413    301
    560.67   1.403    230
    559.94   1.402    229
    559.39   1.400    229
    559.02   1.399    229
    558.66   1.398    232
    553.16   1.385    332
    544.19   1.362    159
    542.36   1.358    177
    541.81   1.356    176
    502.61   1.258    270
    499.68   1.251    207
    499.31   1.250    204
    497.48   1.245    192
    493.82   1.236    265
    415.06   1.039    371
    402.97   1.009    362

KBr disc

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