3,4-DICHLOROTHIOPHENOL(5858-17-3) IR1
Product Name3,4-DICHLOROTHIOPHENOL
CAS5858-17-3
Molecular FormulaC6H4Cl2S
Molecular Weight179.07
InChIInChI=1S/C6H4Cl2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey HNJZDPKMMZXSKT-UHFFFAOYSA-N
SmilesC1(S)=CC=C(Cl)C(Cl)=C1
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MassMS-NW-6654 3,4-dichlorobenzenethiol C6H4Cl2S (Mass of molecular ion: 178)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
35.0 1.0 36.0 1.9 37.0 3.5 38.0 2.0 39.0 1.6 44.0 1.3 45.0 7.9 49.0 1.8 50.0 3.9 51.0 1.1 52.5 1.4 53.0 5.8 53.5 1.4 54.0 1.3 57.0 2.7 58.0 2.6 60.0 1.1 61.0 4.0 62.0 6.0 63.0 9.6 69.0 9.0 70.0 1.0 71.0 8.9 71.5 1.0 72.0 4.5 73.0 6.2 74.0 7.5 75.0 5.3 79.0 4.3 81.0 3.8 82.0 3.9 83.0 1.2 84.0 3.3 85.0 1.9 86.0 1.0 89.0 4.1 90.0 3.0 92.0 1.0 93.0 1.1 97.0 3.3 99.0 9.6 101.0 3.0 103.0 1.0 105.0 2.1 106.0 3.4 107.0 9.8 108.0 23.1 109.0 7.2 110.0 2.6 111.0 2.9 116.0 1.2 118.0 2.9 120.0 1.0 133.0 3.4 134.0 8.5 135.0 2.7 136.0 5.8 138.0 1.1 141.0 1.0 142.0 25.8 143.0 75.5 144.0 15.3 145.0 29.4 146.0 6.5 147.0 2.7 148.0 2.9 152.0 1.2 177.0 8.0 178.0 100.0 179.0 12.7 180.0 69.1 181.0 5.8 182.0 13.6 183.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H4 Cl2 S 0.05 ml : 0.5 ml CDCl3 3,4-dichlorobenzenethiol 
Assign. Shift(ppm)
A 7.31 B 7.24 C 7.043 D 3.489
Hz ppm Int.659.38 7.363 33 655.88 7.324 483 653.75 7.300 639 650.63 7.265 94 648.81 7.245 59 644.94 7.202 678 641.44 7.163 51 640.50 7.152 49 639.81 7.144 46 637.56 7.119 44 637.13 7.115 46 636.69 7.110 49 634.50 7.085 446 632.38 7.061 373 629.19 7.026 46 627.63 7.008 42 626.06 6.991 192 624.00 6.968 172 312.56 3.490 1000 309.94 3.461 34
in CDCl3
liquid film
