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826-73-3

1-Benzosuberone

Product Name 1-Benzosuberone

CAS826-73-3

MFC11H12O

MW160.21

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  • 826-73-3_ms
    Mass

    MS-NW-6681          
    6,7,8,9-tetrahydrobenzocyclohepten-5-one
    C11H12O             (Mass of molecular ion:    160)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       5.8
          38.0       1.9
          39.0      10.7
          40.0       1.3
          41.0       2.9
          50.0       5.9
          51.0      12.1
          52.0       2.8
          53.0       2.6
          55.0       2.4
          57.5       1.9
          58.0       1.0
          62.0       3.3
          63.0      10.1
          64.0       4.8
          65.0       7.2
          66.0       1.1
          74.0       3.1
          75.0       3.1
          76.0       6.1
          77.0      17.6
          78.0      11.7
          79.0       1.8
          87.0       1.0
          89.0      12.1
          90.0      17.4
          91.0      41.1
          92.0       3.8
         101.0       1.0
         102.0       4.6
         103.0      23.1
         104.0      70.2
         105.0      10.4
         115.0       9.2
         116.0       5.2
         117.0      12.0
         118.0      22.5
         119.0       8.9
         127.0       2.7
         128.0       4.6
         129.0       6.8
         130.0       2.1
         131.0      65.4
         132.0      27.9
         133.0       3.0
         141.0       2.8
         142.0      10.1
         143.0       2.2
         145.0      11.4
         146.0       1.8
         159.0      17.0
         160.0     100.0
         161.0      12.4
         162.0       1.0
    

400 MHz in CDCl3

  • 826-73-3_1hnmr

    1H NMR 399.65 MHz
    C11 H12 O 0.05 ml : 0.5 ml CDCl3
    6,7,8,9-tetrahydrobenzocyclohepten-5-one
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.706 B 7.385 C 7.269 D 7.172 E 2.893 F 2.701 G *1 1.843 J *1 1.774 ASSIGNED BY C-H COSY.

         Hz     ppm     Int.
    

       3084.47   7.718    432
       3083.01   7.715    416
       3076.78   7.699    472
       3075.32   7.696    456
       2960.57   7.408    259
       2958.98   7.404    258
       2956.79   7.399     33
       2953.13   7.390    602
       2951.54   7.386    578
       2948.97   7.379     48
       2947.75   7.376     48
       2945.68   7.371    418
       2944.09   7.367    392
       2912.60   7.288    326
       2911.25   7.285    344
       2908.57   7.278     34
       2904.91   7.269    474
       2903.69   7.266    489
       2899.90   7.257     33
       2897.46   7.250    240
       2896.24   7.247    245
       2870.73   7.184    420
       2870.12   7.182    503
       2869.51   7.181    488
       2868.90   7.179    393
       2866.46   7.173     48
       2865.11   7.170     51
       2863.28   7.165    346
       2862.67   7.163    430
       2861.94   7.162    421
       2861.33   7.160    336
       1162.60   2.910    559
       1156.74   2.895    665
       1150.02   2.878    612
       1085.45   2.717   1000
       1083.62   2.712    154
       1081.54   2.707    323
       1081.05   2.705    321
       1079.35   2.701    717
       1077.39   2.696    318
       1073.36   2.686    866
       1070.19   2.678     50
        751.59   1.881    107
        750.24   1.878    124
        746.95   1.870    103
        745.61   1.866    204
        743.65   1.861    374
        742.31   1.858    152
        739.38   1.851    304
        737.67   1.846    474
        736.94   1.844    535
        735.72   1.841    262
        734.74   1.839    163
        732.54   1.833    255
        730.59   1.829    523
        728.27   1.823    121
        725.22   1.815    247
        724.49   1.813    229
        720.95   1.804    233
        719.73   1.801    252
        716.67   1.794    234
        714.72   1.789    501
        712.40   1.783    313
        710.69   1.779    218
        708.13   1.772    544
        706.18   1.767    271
        704.47   1.763    150
        702.15   1.757    387
        699.83   1.752    153
        699.34   1.750    156
        696.78   1.744     82
        695.68   1.741    127
        694.09   1.737    106
    

in CDCl3

  • 826-73-3_13cnmr

liquid film

  • 826-73-3_ir1

  • 826-73-3_raman