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返回ChemicalBook首頁(yè)>CAS數(shù)據(jù)庫(kù)列表>4007-01-6更多圖譜> S-(N,N-二甲基硫代氨甲酰基)巰基乙酸(4007-01-6)紅外圖譜(IR1)

4007-01-6

S-(N,N-二甲基硫代氨甲?；?巰基乙酸(4007-01-6)紅外圖譜(IR1)

分子式:C5H9NO2S2

分子量: 179.26

InChI:InChI=1S/C5H9NO2S2/c1-6(2)5(9)10-3-4(7)8/h3H2,1-2H3,(H,7,8)

InChIKey: FYGUGMCPHDSCLF-UHFFFAOYSA-N

Smiles:C(O)(=O)CSC(N(C)C)=S

  • 圖譜
    Mass 

    MS-IW-9732          
((N,N-dimethylthiocarbamoyl)thio)acetic acid
C5H9NO2S2           (Mass of molecular ion:    179)


       Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV


          15.0       2.2
      18.0       2.4
      28.0       1.9
      42.0       9.6
      43.0       2.0
      44.0      17.6
      45.0       4.6
      46.0       1.5
      47.0       3.8
      56.0       2.1
      59.0       1.6
      60.0       1.0
      61.0       1.0
      72.0       4.5
      73.0       7.4
      74.0       5.2
      76.0       2.1
      77.0       4.7
      88.0     100.0
      89.0       5.3
      90.0       4.8
     120.0       3.6
     179.0      32.0
     180.0       2.4
     181.0       3.1

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C5 H9 N O2 S2 0.040 g : 0.5 ml DMSO-d6
    ((N,N-dimethylthiocarbamoyl)thio)acetic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            12.7
      B             4.091
      C     *1      3.453
      D     *1      3.381
  

         Hz     ppm     Int.


       5090.01  12.737     45
   1635.31   4.092    947
   1380.16   3.454   1000
   1351.40   3.382    979

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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