22644-27-5

(R)-(-)-2-甲基琥珀酸甲酯(22644-27-5)Raman光谱

产品名称:(R)-(-)-2-甲基琥珀酸甲酯

CAS:22644-27-5

分子式:C7H12O4

分子量: 160.17

InChI:InChI=1S/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3/t5-/m1/s1

InChIKey: NFOQJNGQQXICBY-RXMQYKEDSA-N

Smiles:C(OC)(=O)[C@H](C)CC(OC)=O

Mass

MS-IW-9045          
dimethyl (R)-methylsuccinate
C7H12O4             (Mass of molecular ion:    160)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0      14.7
      27.0       3.7
      28.0       2.6
      29.0       6.5
      31.0       1.8
      39.0       6.1
      40.0       1.6
      41.0      16.3
      42.0       9.3
      43.0       5.6
      45.0       2.0
      55.0       6.2
      56.0       1.7
      58.0       1.7
      59.0     100.0
      60.0       3.1
      69.0      14.5
      70.0       1.3
      72.0       1.5
      74.0       6.1
      85.0       1.5
      87.0      13.0
      99.0       1.5
     100.0      19.7
     101.0      22.2
     102.0       1.3
     128.0      25.8
     129.0      41.5
     130.0       2.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₂ O₄	0.05 ml : 0.5 ml CDCl₃
dimethyl (R)-methylsuccinate

    Assign.     Shift(ppm)

      A     *1      3.701
      B     *1      3.683
      C             2.927
      D     *2      2.744
      E     *2      2.425
      G             1.226

     Hz     ppm     Int.

   1479.25   3.702   1000
   1472.05   3.684    909
   1180.79   2.955     43
   1174.68   2.940     53
   1173.58   2.937     64
   1172.73   2.935     59
   1167.48   2.922     57
   1166.63   2.920     72
   1165.53   2.917     60
   1159.42   2.902     56
   1109.62   2.777    113
   1101.56   2.757     87
   1093.14   2.736    137
   1084.96   2.715    116
    979.49   2.451    127
    973.39   2.436    121
    962.89   2.410    101
    956.79   2.395     95
    493.77   1.236    639
    491.21   1.230     50
    486.57   1.218    629

in CDCl3