2426-02-0

3,4,5,6-四氢苯酐(2426-02-0)核磁图(¹³CNMR)

产品名称:3,4,5,6-四氢苯酐

CAS:2426-02-0

分子式:C8H8O3

分子量: 152.15

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

InChIKey: HMMBJOWWRLZEMI-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(CCCC2)C(=O)O1

Mass

MS-NW-7831          
3,4,5,6-tetrahydrophthalic anhydride
C8H8O3              (Mass of molecular ion:    152)

   Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       1.9
      26.0       3.3
      27.0      12.1
      28.0       3.7
      37.0       1.9
      38.0       6.2
      39.0      19.9
      39.5       1.1
      40.0       4.2
      41.0       5.2
      49.0       1.2
      50.0      12.8
      51.0      22.4
      52.0      37.9
      53.0       7.0
      54.0       1.7
      55.0       3.2
      62.0       1.2
      63.0       3.4
      65.0       5.0
      66.0       4.4
      74.0       2.0
      75.0       1.0
      76.0       1.2
      77.0      14.8
      78.0       5.6
      79.0     100.0
      80.0      43.3
      81.0       3.0
     107.0       3.4
     108.0      84.3
     109.0       6.7
     152.0      16.7
     153.0       2.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₈ O₃	0.030 g : 0.5 ml DMSO-d₆
3,4,5,6-tetrahydrophthalic anhydride

    Assign.     Shift(ppm)

      A             2.330
      B             1.696

     Hz     ppm     Int.

    940.31   2.353     58
    937.01   2.345    298
    933.59   2.337    393
    930.91   2.330   1000
    928.47   2.324    405
    924.80   2.315    315
    921.63   2.307     61
    687.99   1.722     48
    683.96   1.712    324
    680.54   1.703    446
    677.98   1.697    934
    675.42   1.691    428
    671.88   1.682    295
    667.85   1.672     49
    666.50   1.668     36

in DMSO-d6