2-Chloro-5-methylsulfanylbenzoic acid(51546-12-4) MS
Product Name2-Chloro-5-methylsulfanylbenzoic acid
CAS51546-12-4
Molecular FormulaC8H7ClO2S
Molecular Weight202.66
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MassMS-NW-8261 2-chloro-5-(methylthio)benzoic acid C8H7ClO2S (Mass of molecular ion: 202)
Source Temperature: 160 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 4.4 28.0 1.3 39.0 1.2 45.0 10.6 46.0 1.7 47.0 2.1 50.0 2.3 51.0 1.6 53.0 1.1 61.0 1.5 62.0 2.4 63.0 6.4 69.0 4.5 71.0 1.1 72.0 1.7 73.0 2.2 74.0 4.1 75.0 5.3 77.0 3.4 81.0 1.1 82.0 1.4 83.0 1.3 83.5 1.4 84.0 1.0 92.0 2.1 93.0 1.1 95.0 2.0 97.0 1.1 99.0 3.4 101.0 2.1 105.0 1.1 106.0 1.7 107.0 4.6 108.0 5.9 109.0 1.2 110.0 1.5 111.0 1.5 112.0 1.0 121.0 5.9 122.0 3.8 123.0 2.6 125.0 1.0 131.0 1.1 133.0 1.6 138.0 1.2 139.0 4.9 141.0 2.0 142.0 4.1 143.0 2.0 144.0 1.6 151.0 5.3 155.0 1.6 156.0 3.2 157.0 6.6 158.0 1.8 159.0 2.8 167.0 1.9 169.0 4.5 171.0 3.0 185.0 10.9 186.0 1.1 187.0 14.4 188.0 1.4 189.0 4.1 202.0 100.0 203.0 9.9 204.0 37.4 205.0 3.6 206.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H7 Cl O2 S 0.036 g : 0.5 ml CDCl3 2-chloro-5-(methylthio)benzoic acid 
Assign. Shift(ppm)
A 10. B 7.853 C 7.382 D 7.330 E 2.510
Hz ppm Int.3139.80 7.857 161 3137.51 7.851 165 2955.93 7.397 92 2947.54 7.376 182 2933.65 7.341 105 2931.37 7.335 104 2925.26 7.320 56 2922.82 7.314 56 1003.27 2.511 1000
in CDCl3
KBr disc
nujol mull
