1HNMR)的核磁圖,紅外圖譜,Raman光譜,質譜等圖譜" /> 1HNMR)" />

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623-51-8

巰基乙酸乙酯(623-51-8)核磁圖(1HNMR)

產品名稱:巰基乙酸乙酯

CAS:623-51-8

分子式:C4H8O2S

分子量: 120.17

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

InChIKey: PVBRSNZAOAJRKO-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CS

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

liquid film

  • 圖譜

  • 圖譜

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