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3789-97-7

D-GLUCURONAMIDE

Product Name D-GLUCURONAMIDE

CAS3789-97-7

MFC6H11NO6

MW193.15

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  • 3789-97-7_ms
    Mass

    MS-NW-7387          
    glucuronamide
    C6H11NO6            (Mass of molecular ion:    193)
    

       Source Temperature: 200 °C
       Sample Temperature: 180 °C
       Direct, 75 eV
    

          14.0       1.6
          15.0       7.4
          16.0       2.3
          17.0       5.0
          18.0      26.7
          19.0       7.0
          26.0       3.2
          27.0       7.7
          28.0       7.9
          29.0      33.0
          30.0       6.9
          31.0      29.9
          32.0       3.8
          38.0       1.3
          39.0       4.2
          40.0       1.6
          41.0       2.7
          42.0      22.0
          43.0      33.8
          44.0      31.8
          45.0      10.2
          46.0       3.2
          47.0       2.7
          53.0       1.4
          54.0       2.7
          55.0       7.8
          56.0       2.7
          57.0      11.2
          58.0       8.8
          59.0       5.5
          60.0      35.9
          61.0      32.8
          62.0       1.7
          68.0       1.3
          69.0       2.3
          70.0       3.4
          71.0      25.2
          72.0      11.2
          73.0      49.1
          74.0       9.5
          75.0     100.0
          76.0       4.4
          77.0       1.0
          82.0       1.2
          83.0       4.6
          84.0       2.4
          85.0       4.8
          86.0       3.8
          87.0      14.7
          88.0       6.0
          89.0       3.2
          90.0       1.6
          91.0       1.3
          99.0       2.1
         100.0       2.5
         101.0       4.4
         102.0       1.3
         103.0      11.7
         104.0      21.8
         105.0       1.7
         112.0       2.3
         113.0       2.1
         116.0       2.7
         117.0       1.1
         119.0       1.2
         128.0       5.6
         129.0       1.0
         131.0       3.0
         132.0       1.0
         134.0       7.6
         139.0       2.0
         146.0       3.9
         157.0       1.9
         162.0       1.1
    

400 MHz in D2O

400 MHz in DMSO-d6

  • 3789-97-7_1hnmr_2

    1H NMR 399.65 MHz
    C6 H11 N O6 saturated in D2O
    glucuronamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.298 B 4.713 C 4.251 D 3.926 E 3.756 F 3.608 G 3.576 J 3.551 K 3.546 L 3.323 mixture of anomers. J(A,F)=3.7Hz J(B,L)=8.1Hz J(C,J)=10.0Hz J(D,G)=9.5Hz J(E,F)=9.9Hz J(E,J)=9.8Hz J(G,K)=9.2Hz J(K,L)=8.1Hz assigned by H-H COSY.

         Hz     ppm     Int.
    

       2124.88   5.317     30
       2119.38   5.304    706
       2115.72   5.294    709
       1892.21   4.735     32
       1891.48   4.733     36
       1887.57   4.724    979
       1883.18   4.713     50
       1882.81   4.712     48
       1879.52   4.703   1000
       1704.35   4.265    703
       1694.34   4.240    751
       1574.22   3.939    658
       1573.00   3.936    436
       1564.70   3.916    782
       1512.45   3.785    287
       1506.59   3.770     32
       1502.69   3.761    622
       1493.41   3.737    515
       1448.61   3.625    536
       1444.82   3.616    540
       1441.16   3.607    309
       1438.72   3.600    465
       1435.06   3.591    456
       1432.01   3.584    742
       1428.10   3.574    573
       1424.19   3.564    798
       1422.85   3.561    904
       1418.21   3.549    705
       1415.16   3.541    851
       1411.50   3.532    133
       1409.06   3.526    457
       1406.13   3.519    364
       1400.15   3.504     37
       1399.41   3.502     34
       1399.05   3.501     32
       1344.85   3.366     32
       1344.48   3.365     31
       1342.65   3.360    261
       1340.21   3.354     42
       1338.62   3.350     31
       1336.18   3.344    344
       1335.08   3.341    280
       1328.25   3.324    440
       1327.03   3.321    566
       1320.31   3.304    135
       1318.97   3.301    330
       1316.65   3.295     96
       1315.06   3.291     68
       1312.01   3.283     31
       1311.65   3.282     31
       1307.13   3.271     33
    

  • 3789-97-7_1hnmr

    1H NMR 399.65 MHz
    C6 H11 N O6 0.038 g : 0.5 ml DMSO-d6
    alpha-D-glucuronamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 7.36 B *1 7.17 C 6.48 D 4.98 E 4.950 F 4.82 G 4.62 J 3.910 K 3.429 L 3.261 M 3.181 J(C,E)=4.5 Hz J(D,L)=4.3 Hz J(E,M)=4.0 Hz J(F,K)=4.9 Hz J(G,M)=6.6 Hz J(J,L)=10.0 Hz J(K,M)=J(K,L)=9.8 Hz assigned by H-H and C-H COSY, and addition of D2O.

         Hz     ppm     Int.
    

       2941.04   7.360    526
       2864.14   7.167    520
       2591.80   6.486    671
       2587.28   6.474    688
       1990.72   4.982    991
       1986.45   4.971   1000
       1982.42   4.961    466
       1978.39   4.951    671
       1974.24   4.940    438
       1927.12   4.823    742
       1922.24   4.810    741
       1850.22   4.630    666
       1843.63   4.614    680
       1567.99   3.924    883
       1558.11   3.899    965
       1384.16   3.464    159
       1379.27   3.452    169
       1375.00   3.441    339
       1370.24   3.429    350
       1365.84   3.418    264
       1314.09   3.289    285
       1309.81   3.278    281
       1305.18   3.266    320
       1304.32   3.264    342
       1300.90   3.256    336
       1300.05   3.253    326
       1295.41   3.242    211
       1291.14   3.231    213
       1280.64   3.205    197
       1277.10   3.196    215
       1274.17   3.189    231
       1270.87   3.180    341
       1267.70   3.173    205
       1264.89   3.165    193
       1261.23   3.156    164
    

in DMSO-d6

  • 3789-97-7_13cnmr

KBr disc

  • 3789-97-7_ir1_2

nujol mull

  • 3789-97-7_ir2