59293-67-3

2,4-Dichlorobenzyl mercaptan(59293-67-3) IR1

Product Name2,4-Dichlorobenzyl mercaptan

CAS 59293-67-3

Molecular FormulaC7H6Cl2S

Molecular Weight193.09

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

InChIKey ZSPXTTVUJDSRNJ-UHFFFAOYSA-N

SmilesC1(CS)=CC=C(Cl)C=C1Cl

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¹HNMR

¹³CNMR

IR1

2,4-Dichlorobenzyl mercaptan(59293-67-3) IR1
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

2,4-Dichlorobenzyl mercaptan(59293-67-3) IR1

    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