2,6-DICHLOROTHIOPHENOL(24966-39-0) MS
Product Name2,6-DICHLOROTHIOPHENOL
CAS24966-39-0
Molecular FormulaC6H4Cl2S
Molecular Weight179.07
InChIInChI=1S/C6H4Cl2S/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey JBISHCXLCGVPGW-UHFFFAOYSA-N
SmilesC1(S)=C(Cl)C=CC=C1Cl
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MassMS-NW-9420 2,6-dichlorobenzenethiol C6H4Cl2S (Mass of molecular ion: 178)
Source Temperature: 250 °C Sample Temperature: 160 °C Reservoir, 75 eV
36.0 2.7 37.0 3.5 38.0 2.9 39.0 2.7 44.0 1.7 45.0 5.8 49.0 2.0 50.0 2.6 51.0 1.2 52.5 1.6 53.0 7.6 53.5 1.8 54.0 1.0 57.0 1.1 58.0 2.8 60.0 1.1 61.0 4.0 62.0 5.8 63.0 13.8 64.0 1.1 68.0 1.1 69.0 17.8 70.0 1.3 71.0 10.6 71.5 1.0 72.0 4.7 73.0 7.3 74.0 6.1 75.0 5.5 79.0 3.8 81.0 6.5 82.0 6.3 83.0 1.2 84.0 2.5 85.0 1.2 89.0 5.2 90.0 4.3 91.0 1.5 92.0 1.3 93.0 1.8 97.0 2.5 98.0 1.4 99.0 4.9 101.0 1.4 103.0 2.0 105.0 2.4 106.0 3.3 107.0 34.2 108.0 19.0 109.0 5.8 110.0 1.6 111.0 1.5 116.0 1.1 118.0 2.2 126.0 1.4 133.0 2.2 134.0 5.0 135.0 1.6 136.0 3.2 142.0 40.8 143.0 73.5 144.0 20.3 145.0 28.0 146.0 4.7 147.0 1.9 148.0 1.5 161.0 5.3 162.0 3.1 163.0 3.6 164.0 1.9 177.0 4.7 178.0 100.0 179.0 10.5 180.0 68.2 181.0 5.6 182.0 13.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H4 Cl2 S 0.042 g : 0.5 ml CDCl3 2,6-dichlorobenzenethiol 
Assign. Shift(ppm)
A 7.272 B 6.994 C 4.613
Hz ppm Int.659.69 7.366 68 657.56 7.343 387 657.25 7.339 392 655.88 7.324 434 655.50 7.320 415 654.13 7.304 82 652.38 7.285 106 649.13 7.248 882 648.81 7.245 922 645.38 7.207 79 635.25 7.094 30 632.06 7.058 611 628.94 7.023 31 628.13 7.014 30 627.75 7.010 34 625.31 6.983 378 624.13 6.969 67 622.94 6.956 284 616.25 6.881 201 413.19 4.614 1000 410.25 4.581 45
in CDCl3
KBr disc
nujol mull
