Thiobenzoic acid(98-91-9) IR1
Product NameThiobenzoic acid
CAS98-91-9
Molecular FormulaC7H6OS
Molecular Weight138.19
InChIInChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChIKey UIJGNTRUPZPVNG-UHFFFAOYSA-N
SmilesC1(C(=S)O)=CC=CC=C1
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MassMS-NW-1144 thiobenzoic acid C7H6OS (Mass of molecular ion: 138)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.2 27.0 1.5 28.0 2.4 34.0 1.5 37.0 1.2 38.0 1.9 39.0 2.1 50.0 9.0 51.0 21.3 52.0 1.3 65.0 1.0 74.0 2.9 75.0 1.9 76.0 2.6 77.0 65.8 78.0 5.1 105.0 100.0 106.0 7.7 109.0 1.1 122.0 5.5
in CDCl3
liquid film
