1,4-BENZENEDIMETHANETHIOL(105-09-9) 1H NMR
Product Name1,4-BENZENEDIMETHANETHIOL
CAS105-09-9
Molecular FormulaC8H10S2
Molecular Weight170.29
InChIInChI=1S/C8H10S2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2
InChIKey IYPNRTQAOXLCQW-UHFFFAOYSA-N
SmilesC1(CS)=CC=C(CS)C=C1
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MassMS-IW-4109 p-phenylenebis(methanethiol) C8H10S2 (Mass of molecular ion: 170)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
34.0 2.1 39.0 3.2 45.0 17.0 47.0 2.0 50.0 1.7 51.0 5.1 52.0 2.2 59.0 2.3 63.0 3.0 65.0 3.5 67.0 3.2 68.0 6.1 69.0 1.1 76.0 1.3 77.0 8.3 78.0 8.2 79.0 1.4 89.0 3.3 90.0 1.6 91.0 25.7 92.0 2.6 93.0 3.9 97.0 1.4 102.0 2.2 103.0 13.7 104.0 62.4 105.0 6.2 121.0 2.3 123.0 5.4 134.0 2.2 135.0 7.7 136.0 2.9 137.0 100.0 138.0 10.0 139.0 5.1 170.0 39.4 171.0 4.1 172.0 3.8
parameter in CDCl3
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1H NMR 300 MHz C8 H10 S2 0.032 g : 0.5 ml CDCl3 p-phenylenebis(methanethiol) 
Parameter ppm Hz
D(A) 7.263 D(B) 3.710 D(C) 1.745 J(B,C) 7.57
Hz ppm Int.2178.90 7.263 1000 1116.81 3.723 495 1109.27 3.698 508 531.03 1.770 129 523.48 1.745 246 515.94 1.720 123
in CDCl3
KBr disc
nujol mull
