935-79-5

四氢苯酐(935-79-5)Raman光谱

产品名称:四氢苯酐

CAS:935-79-5

分子式:C8H8O3

分子量: 152.15

InChI:InChI=1/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2/t5-,6+

InChIKey: KMOUUZVZFBCRAM-OLQVQODUNA-N

Smiles:C1(=O)[C@]2([H])[C@@]([H])(CC=CC2)C(=O)O1 |&1:2,4,r|

Mass

MS-NW-1563          
cis-4-cyclohexene-1,2-dicarboxylic anhydride
C8H8O3              (Mass of molecular ion:    152)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      26.0       4.3
      27.0      14.5
      28.0       2.3
      37.0       1.8
      38.0       4.3
      39.0      20.4
      39.5       1.7
      40.0       3.8
      41.0       2.9
      49.0       1.0
      50.0       6.9
      51.0      11.0
      52.0       7.3
      53.0       4.9
      54.0       2.6
      63.0       2.0
      65.0       4.1
      77.0      14.3
      78.0       8.8
      79.0     100.0
      80.0      50.0
      81.0       3.3
     123.0       4.4
     124.0      36.4
     125.0       2.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₈ O₃	0.042 g : 0.5 ml DMSO-d₆
cis-4-cyclohexene-1,2-dicarboxylic anhydride

    Assign.     Shift(ppm)

      A             5.951
      B             3.519
      C     *1      2.399
      D     *1      2.262

     Hz     ppm     Int.

   2391.36   5.984     82
   2390.38   5.982     48
   2388.92   5.978     55
   2388.18   5.976     45
   2381.96   5.961    815
   2380.74   5.958    794
   2378.66   5.952   1000
   2376.83   5.948    744
   2376.34   5.947    760
   2375.12   5.944    829
   2369.26   5.929     57
   2367.80   5.925     65
   2367.07   5.923     62
   2365.72   5.920     91
   1419.07   3.551     76
   1417.72   3.548     41
   1412.11   3.534    413
   1410.28   3.529    643
   1409.18   3.527    795
   1406.98   3.521    791
   1406.37   3.520    766
   1404.30   3.514    847
   1403.08   3.511    687
   1401.25   3.507    446
   1396.36   3.494     59
   1394.29   3.489     89
   1391.85   3.483     32
    974.85   2.440     71
    974.12   2.438     79
    972.05   2.433    241
    971.56   2.432    239
    970.21   2.428    325
    967.53   2.421    310
    966.43   2.419    294
    964.48   2.414    183
    961.55   2.406     56
    961.06   2.405     55
    958.01   2.398    252
    956.18   2.393    455
    954.83   2.390    522
    954.35   2.388    488
    952.88   2.385    538
    952.39   2.384    531
    950.93   2.380    423
    950.56   2.379    421
    947.63   2.372    144
    945.31   2.366     51
    943.97   2.362     41
    942.14   2.358     38
    920.78   2.304     33
    919.80   2.302     47
    918.33   2.298     77
    917.72   2.297     69
    916.75   2.294     98
    914.31   2.288    369
    912.72   2.284    379
    910.03   2.278    383
    908.81   2.275    439
    907.96   2.272    328
    906.62   2.269    369
    905.27   2.266    332
    901.49   2.256     78
    899.05   2.250    239
    897.95   2.247    245
    895.75   2.242    258
    894.53   2.239    242
    892.33   2.233    204
    891.24   2.231    232
    890.14   2.228    223
    888.43   2.224     84
    886.23   2.218     62
    884.77   2.214     41

KBr disc