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59293-67-3

2,4-二氯苄硫醇(59293-67-3)核磁图(13CNMR)

产品名称:2,4-二氯苄硫醇

CAS:59293-67-3

分子式:C7H6Cl2S

分子量: 193.09

InChI:InChI=1S/C7H6Cl2S/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2

InChIKey: ZSPXTTVUJDSRNJ-UHFFFAOYSA-N

Smiles:C1(CS)=CC=C(Cl)C=C1Cl

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    Mass

    MS-IW-4769          
    (2,4-dichlorophenyl)methanethiol
    C7H6Cl2S            (Mass of molecular ion:    192)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          39.0       1.6
          45.0       9.5
          50.0       1.4
          51.0       1.2
          59.0       1.0
          60.0       6.5
          60.5       1.1
          61.0       1.6
          62.0       2.7
          63.0       4.7
          69.0       1.2
          73.0       3.2
          74.0       1.3
          75.0       2.5
          77.0       1.2
          78.0       1.8
          86.0       1.1
          87.0       1.3
          89.0       6.3
          96.0       1.0
          97.0       1.8
          99.0       2.1
         111.0       1.5
         121.0       1.2
         123.0       9.0
         124.0       4.1
         125.0       4.4
         126.0       1.4
         133.0       1.9
         135.0       1.1
         155.0       1.8
         156.0       1.1
         157.0       1.0
         159.0     100.0
         160.0       8.4
         161.0      64.7
         162.0       5.3
         163.0      10.5
         189.0       1.3
         191.0       1.5
         192.0      24.7
         193.0       2.7
         194.0      17.0
         195.0       1.5
         196.0       3.3
    

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        Assign.     Shift(ppm)
    A 7.351 B 7.270 C 7.187 D 3.757 E 1.927
    Spectral Code: 1H NMR : 400 MHz in CDCl3

in CDCl3

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liquid film

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