13149-00-3

六氢邻苯二甲酸酐(13149-00-3)核磁图(¹³CNMR)

产品名称:六氢邻苯二甲酸酐

CAS:13149-00-3

分子式:C8H10O3

分子量: 154.16

InChI:InChI=1/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2/t5-,6+

InChIKey: MUTGBJKUEZFXGO-OLQVQODUNA-N

Smiles:C1(=O)[C@]2([H])[C@@]([H])(CCCC2)C(=O)O1 |&1:2,4,r|

Mass

MS-NW-1384          
cis-1,2-cyclohexanedicarboxylic anhydride
C8H10O3             (Mass of molecular ion:    154)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.3
      26.0       3.5
      27.0      19.2
      28.0       3.5
      29.0       2.8
      38.0       2.8
      39.0      27.0
      40.0       5.5
      41.0      30.2
      42.0       2.0
      50.0       3.3
      51.0       5.0
      52.0       3.5
      53.0       8.2
      54.0      70.9
      55.0       5.1
      65.0       2.1
      66.0       2.0
      67.0      89.8
      68.0       5.5
      77.0       2.4
      79.0       5.0
      80.0       2.0
      81.0       8.4
      82.0     100.0
      83.0       6.7
     108.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₀ O₃	0.035 g : 0.5 ml CDCl₃
cis-1,2-cyclohexanedicarboxylic anhydride

    Assign.     Shift(ppm)

      A     *1      3.16
      B     *1      3.15
      C     *2      1.91
      D     *2      1.84
      E     *3      1.52
      F     *3      1.51

     Hz     ppm     Int.

   1270.63   3.180     51
   1269.78   3.178     87
   1264.40   3.164    289
   1263.55   3.162    171
   1262.57   3.160    328
   1261.84   3.158    414
   1259.64   3.152    464
   1257.57   3.147    795
   1255.62   3.142    485
   1253.42   3.137    423
   1252.69   3.135    319
   1251.71   3.133    176
   1250.85   3.130    306
   1245.48   3.117     96
   1244.63   3.115     58
    610.35   1.528    472
    609.13   1.525    446
    607.42   1.520    852
    604.00   1.512   1000
    601.07   1.504    732
    599.73   1.501    404
    598.51   1.498    435

in CDCl3