626-11-9

苹果酸二乙酯(626-11-9)核磁图(¹HNMR)

产品名称:苹果酸二乙酯

CAS:626-11-9

分子式:C8H14O5

分子量: 190.19

InChI:InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3

InChIKey: VKNUORWMCINMRB-UHFFFAOYSA-N

Smiles:C(C(=O)OCC)C(O)C(=O)OCC

Mass

MS-NW-1312          
diethyl DL-malate
C8H14O5             (Mass of molecular ion:    190)

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

      14.0       1.0
      15.0       5.5
      18.0       1.8
      19.0       6.7
      26.0       3.4
      27.0      20.0
      28.0       5.3
      29.0      57.0
      30.0       1.6
      31.0       7.8
      42.0       6.1
      43.0      38.9
      44.0      14.0
      45.0      16.0
      46.0       1.1
      47.0       8.9
      53.0       1.0
      54.0       1.2
      55.0       5.9
      60.0       5.2
      61.0       1.8
      70.0       1.0
      71.0     100.0
      72.0       7.8
      73.0       3.9
      75.0      18.5
      82.0       1.2
      88.0       5.9
      89.0      39.2
      90.0       2.4
      99.0       9.0
     100.0       3.3
     116.0       4.1
     117.0      97.4
     118.0       9.6
     119.0       1.0
     126.0       1.9
     127.0      13.0
     128.0       3.4
     144.0       2.6
     145.0      11.7
     174.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄ O₅	0.04 ml : 0.5 ml CDCl₃
diethyl DL-malate

    Assign.     Shift(ppm)

      A             4.49
      B             4.258
      C             4.181
      D             3.38
      E     *1      2.86
      F     *1      2.76
      G             1.308
      J             1.271

     Hz     ppm     Int.

    407.88   4.555     97
    402.19   4.491    141
    397.19   4.435    109
    393.06   4.389     89
    385.88   4.309    327
    384.75   4.297    142
    383.25   4.280     48
    382.44   4.271     58
    378.75   4.230    398
    377.50   4.216    364
    375.31   4.191     66
    371.63   4.150    182
    370.38   4.136    358
    363.31   4.057    117
    302.50   3.378    106
    265.19   2.962     39
    261.38   2.919     39
    260.19   2.906     32
    257.69   2.878     32
    256.88   2.869     31
    254.88   2.846    363
    250.13   2.793    215
    249.00   2.781    217
    125.50   1.402     53
    123.69   1.382    412
    121.94   1.362     99
    120.69   1.348    475
    118.38   1.322    126
    116.63   1.303    889
    114.81   1.282    185
    113.56   1.268   1000
    111.25   1.243     80
    109.44   1.222    378
    107.63   1.202     91
    106.38   1.188    418

in CDCl3