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Back ChemicalBook Home>CAS DataBase List>623-51-8More Spectrum> ETHYL THIOGLYCOLATE(623-51-8) 13C NMR

ETHYL THIOGLYCOLATE(623-51-8) 13C NMR

Product NameETHYL THIOGLYCOLATE

CAS623-51-8

Molecular FormulaC4H8O2S

Molecular Weight120.17

InChIInChI=1S/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H3

InChIKey PVBRSNZAOAJRKO-UHFFFAOYSA-N

SmilesC(OCC)(=O)CS


  • Mass

    MS-NW-0993          
    ethyl mercaptoacetate
    C4H8O2S             (Mass of molecular ion:    120)
    

       Source Temperature: 240 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          14.0       2.5
          15.0       3.5
          18.0       1.1
          19.0       2.1
          26.0       2.9
          27.0      22.4
          28.0       3.7
          29.0      88.5
          30.0       1.9
          31.0       6.0
          33.0       1.3
          34.0       1.0
          41.0       1.7
          42.0      13.3
          43.0       8.9
          44.0       2.1
          45.0      13.9
          46.0      29.1
          47.0     100.0
          48.0      10.8
          49.0       4.9
          59.0       2.4
          60.0       1.7
          61.0       7.9
          63.0       1.4
          64.0       1.6
          74.0      51.2
          75.0      22.0
          76.0       3.4
          77.0       1.7
          88.0       1.0
          92.0      10.5
         120.0      52.8
         121.0       3.1
         122.0       2.7
         192.0       1.3
         238.0       1.1
    

parameter in CDCl3


  • 1H NMR 300 MHz
    C4 H8 O2 S 0.04 ml : 0.5 ml CDCl3
    ethyl mercaptoacetate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.198 D(B) 1.291 J(A,B) 7.14 D(C) 3.248 D(D) 1.999 J(C,D) 8.25

         Hz     ppm     Int.
    

       1270.17   4.234    164
       1263.02   4.210    497
       1255.90   4.186    505
       1248.74   4.162    172
        978.58   3.262    652
        970.34   3.234    681
        607.85   2.026    176
        599.62   1.999    316
        591.38   1.971    162
        394.41   1.315    510
        387.29   1.291   1000
        380.16   1.267    494
    

in CDCl3



liquid film





ETHYL THIOGLYCOLATE(623-51-8) 13C NMR Atlas of Related Products

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