106-54-7

4-氯苯硫酚(106-54-7)红外图谱(IR1)

产品名称:4-氯苯硫酚

CAS:106-54-7

分子式:C6H5ClS

分子量: 144.62

InChI:InChI=1S/C6H5ClS/c7-5-1-3-6(8)4-2-5/h1-4,8H

InChIKey: VZXOZSQDJJNBRC-UHFFFAOYSA-N

Smiles:C1(S)=CC=C(Cl)C=C1

Mass

MS-NW-3102          
p-chlorobenzenethiol
C6H5ClS             (Mass of molecular ion:    144)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      28.0       1.4
      37.0       2.1
      38.0       2.1
      39.0       3.8
      45.0       6.3
      49.0       1.1
      50.0       5.6
      51.0       3.0
      53.0       1.3
      54.0       3.8
      57.0       1.6
      58.0       2.8
      61.0       1.8
      62.0       2.5
      63.0       6.2
      65.0       8.4
      69.0       8.7
      71.0       1.0
      72.0       3.2
      73.0       5.0
      74.0       3.9
      75.0       7.4
      76.0       1.2
      77.0       1.1
      81.0       2.0
      82.0       4.3
      83.0       1.1
      84.0       2.9
      85.0       1.0
      99.0       4.0
     100.0      12.0
     101.0       1.8
     102.0       4.0
     107.0       1.6
     108.0      28.7
     109.0      52.4
     110.0       5.5
     111.0       5.1
     112.0       2.6
     113.0       1.0
     118.0       2.4
     143.0      10.0
     144.0     100.0
     145.0      11.0
     146.0      36.2
     147.0       2.8
     148.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₅ Cl S	0.043 g : 0.5 ml CDCl₃
p-chlorobenzenethiol

    Assign.     Shift(ppm)

      A             7.12
      B             3.41

     Hz     ppm     Int.

    637.50   7.119   1000
    632.63   7.064     29
    305.75   3.414    331

in CDCl3

liquid film

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