3853-88-1

5-降冰片烯-2,3-二羧酸(3853-88-1)質(zhì)譜(MS)

產(chǎn)品名稱:5-降冰片烯-2,3-二羧酸

CAS:3853-88-1

分子式:C9H10O4

分子量: 182.17

InChI:InChI=1/C9H10O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H,10,11)(H,12,13)/t4-,5+,6-,7+

InChIKey: NIDNOXCRFUCAKQ-UMRXKNAANA-N

Smiles:[C@@]12([H])C[C@@]([H])(C=C1)[C@@H](C(O)=O)[C@H]2C(O)=O |&1:0,3,7,11,r|

Mass

MS-NW-7041          
cis-endo-5-norbornene-2,3-dicarboxylic acid
C9H10O4             (Mass of molecular ion:    182)

   Source Temperature: 220 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       1.1
      18.0       4.7
      26.0       2.7
      27.0       3.9
      38.5       2.5
      39.5      12.4
      40.5       4.6
      41.5       1.9
      45.0       2.6
      50.0       2.4
      51.0       4.0
      52.0       1.4
      53.0       1.6
      54.0       1.1
      55.0       3.0
      62.0       1.4
      63.0       3.4
      64.0       1.0
      65.0       9.7
      66.0     100.0
      67.0       6.3
      77.0       2.6
      78.0       1.5
      79.0       1.7
      90.0       1.0
      91.0      22.7
      92.0      10.2
      93.0       1.3
      99.0       6.0
     117.0       7.8
     118.0       1.2
     119.0       6.3
     120.0       4.3
     136.0       1.7
     137.0       2.4
     164.0       4.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₁₀ O₄	0.037 g : 0.5 ml DMSO-d₆
cis-endo-5-norbornene-2,3-dicarboxylic acid

    Assign.     Shift(ppm)

      A            11.8
      B             6.103
      C             3.187
      D             3.003
      E     *1      1.312
      F     *1      1.255

     Hz     ppm     Int.

   4715.07  11.799    487
   2440.69   6.108    673
   2439.05   6.103   1000
   2437.40   6.099    652
   2428.79   6.078     22
   1274.66   3.190    742
   1273.37   3.187    984
   1271.91   3.183    767
   1200.29   3.004    674
    529.72   1.326    174
    521.47   1.305    325
    504.26   1.262    322
    502.61   1.258    213
    497.66   1.246    126
    496.01   1.242    186
    494.37   1.238    116

KBr disc