4-Chlorothiophenol(106-54-7) 13C NMR
Product Name4-Chlorothiophenol
CAS106-54-7
Molecular FormulaC6H5ClS
Molecular Weight144.62
InChIInChI=1S/C6H5ClS/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey VZXOZSQDJJNBRC-UHFFFAOYSA-N
SmilesC1(S)=CC=C(Cl)C=C1
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MassMS-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
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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
