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70-49-5

巰基丁二酸(70-49-5)紅外圖譜(IR2)

產(chǎn)品名稱:巰基丁二酸

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

  • 圖譜
    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

  • 圖譜

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

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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