70-49-5

巯基丁二酸(70-49-5)核磁图(¹HNMR)

产品名称:巯基丁二酸

CAS:70-49-5

分子式:C4H6O4S

分子量: 150.15

InChI:InChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)

InChIKey: NJRXVEJTAYWCQJ-UHFFFAOYSA-N

Smiles:C(O)(=O)C(S)CC(O)=O

Mass

MS-NW-5763          
mercaptosuccinic acid
C4H6O4S             (Mass of molecular ion:    150)

   Source Temperature: 180 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      12.0       2.6
      13.0       3.1
      14.0       3.8
      15.0       4.0
      16.0       4.0
      17.0       9.8
      18.0      35.2
      19.0       2.2
      24.0       2.6
      25.0      10.4
      26.0      68.1
      27.0      91.7
      28.0      39.1
      29.0      12.3
      31.0       2.2
      32.0      27.2
      33.0      30.0
      34.0      66.3
      35.0      16.5
      36.0       4.4
      37.0       2.4
      38.0       1.1
      39.0       3.6
      41.0       4.0
      42.0      14.7
      43.0      25.1
      44.0      65.5
      45.0     100.0
      46.0       9.9
      47.0       8.8
      51.0       1.0
      52.0       2.8
      53.0      17.0
      54.0      42.4
      55.0      60.8
      56.0      13.8
      57.0      13.1
      58.0      66.1
      59.0      82.3
      60.0      78.4
      61.0      18.0
      62.0       4.5
      63.0      10.9
      64.0       7.0
      65.0       2.6
      66.0       8.4
      68.0       1.0
      69.0       1.8
      70.0       1.8
      71.0      10.7
      72.0      35.4
      73.0      13.4
      74.0      11.1
      75.0       2.3
      76.0       2.8
      81.0       3.0
      82.0       2.7
      85.0       3.3
      86.0      40.0
      87.0      53.2
      88.0      17.7
      89.0       3.3
      90.0       2.9
      91.0       1.3
      92.0       1.2
      98.0      18.3
      99.0      20.7
     100.0       9.3
     101.0       3.5
     102.0       1.4
     103.0       1.8
     104.0      97.3
     105.0      11.9
     106.0       8.1
     114.0       3.6
     116.0       3.5
     126.0       1.2
     130.0       1.2
     132.0      92.7
     133.0       5.9
     134.0       5.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₆ O₄ S	0.040 g : 0.5 ml DMSO-d₆
mercaptosuccinic acid

    Assign.     Shift(ppm)

      A            12.5
      B             3.568
      C             3.286
      D     *1      2.801
      E     *1      2.624

     Hz     ppm     Int.

   5019.77  12.561     22
   1438.23   3.599    156
   1432.86   3.586    225
   1429.20   3.577    345
   1423.83   3.563    363
   1420.41   3.555    263
   1414.79   3.541    199
   1317.63   3.297    447
   1312.99   3.286    176
   1308.59   3.275    394
   1134.03   2.838    713
   1124.51   2.814    654
   1116.94   2.795    965
   1112.30   2.784     50
   1107.42   2.771    922
   1058.59   2.649    927
   1053.22   2.636   1000
   1041.75   2.607    691
   1036.13   2.593    605

in DMSO-d6