2-Mercaptobenzimidazole(583-39-1) 13C NMR
Product Name2-Mercaptobenzimidazole
CAS583-39-1
Molecular FormulaC7H6N2S
Molecular Weight150.2
InChIInChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
InChIKey YHMYGUUIMTVXNW-UHFFFAOYSA-N
SmilesC1(=S)NC2=CC=CC=C2N1
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MassMS-NW-0355 2-mercaptobenzimidazole C7H6N2S (Mass of molecular ion: 150)
Source Temperature: 160 °C Sample Temperature: 190 °C Direct, 75 eV
18.0 1.4 28.0 1.3 37.0 1.1 38.0 1.9 39.0 3.2 45.0 1.6 50.0 1.3 51.0 2.1 52.0 3.0 62.0 1.5 63.0 5.3 64.0 3.9 65.0 8.5 70.0 1.0 75.0 10.6 75.5 1.0 76.0 1.1 78.0 2.3 79.0 1.0 90.0 3.3 91.0 4.3 92.0 5.6 96.0 3.9 105.0 2.5 106.0 4.9 117.0 1.1 118.0 8.4 122.0 8.2 123.0 4.6 149.0 7.1 150.0 100.0 151.0 9.4 152.0 4.9
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C7 H6 N2 S 0.042 g : 0.5 ml DMSO-d6 2-mercaptobenzimidazole 
Assign. Shift(ppm)
A 12.51 B 7.39 to 6.95
Hz ppm Int.1126.22 12.576 30 1120.58 12.513 112 644.03 7.192 46 640.87 7.156 1000 637.62 7.120 66
DMSO-d6
KBr disc
nujol mull
