2,3-DICHLOROTHIOPHENOL(17231-95-7) 1H NMR
Product Name2,3-DICHLOROTHIOPHENOL
CAS17231-95-7
Molecular FormulaC6H4Cl2S
Molecular Weight179.07
InChIInChI=1S/C6H4Cl2S/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
InChIKey QGRKONUHHGBHRB-UHFFFAOYSA-N
SmilesC1(S)=CC=CC(Cl)=C1Cl
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MassMS-NW-9419 2,3-dichlorobenzenethiol C6H4Cl2S (Mass of molecular ion: 178)
Source Temperature: 250 °C Sample Temperature: 160 °C Reservoir, 75 eV
36.0 3.2 37.0 3.5 38.0 2.6 39.0 2.8 44.0 1.9 45.0 7.8 49.0 1.8 50.0 2.9 51.0 1.0 52.5 1.6 53.0 8.3 53.5 1.6 54.0 1.3 57.0 1.6 58.0 3.3 60.0 1.0 61.0 3.8 62.0 5.7 63.0 11.1 68.0 1.0 69.0 14.7 70.0 1.3 71.0 11.4 71.5 1.3 72.0 5.2 73.0 6.6 74.0 6.9 75.0 5.7 79.0 4.6 81.0 6.5 82.0 5.4 83.0 1.4 84.0 3.5 85.0 1.7 86.0 1.0 89.0 5.0 90.0 3.3 91.0 1.0 92.0 1.0 93.0 1.5 97.0 3.2 99.0 7.0 101.0 2.0 103.0 2.5 105.0 2.6 106.0 3.6 107.0 26.7 108.0 26.8 109.0 8.3 110.0 2.4 111.0 2.2 116.0 1.3 118.0 2.5 133.0 2.6 134.0 6.7 135.0 1.9 136.0 4.3 142.0 36.4 143.0 88.5 144.0 20.8 145.0 34.0 146.0 5.7 147.0 2.5 148.0 1.7 177.0 5.6 178.0 100.0 179.0 11.0 180.0 68.2 181.0 5.7 182.0 13.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H4 Cl2 S 0.027 g : 0.5 ml CDCl3 2,3-dichlorobenzenethiol 
Assign. Shift(ppm)
A 7.23 B 7.042 C 4.00
Hz ppm Int.2895.87 7.247 85 2894.41 7.243 701 2893.19 7.240 99 2891.85 7.236 35 2890.14 7.232 23 2886.84 7.224 786 2886.47 7.223 793 2821.78 7.061 314 2814.09 7.042 296 2813.48 7.040 286 2805.91 7.021 208 1600.22 4.005 1000
in CDCl3
KBr disc
nujol mull
