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4-Methylbenzenecarbothioic acid O-methyl ester
SpectraBase Compound ID 9wOlTg3fw5S
InChI InChI=1S/C9H10OS/c1-7-3-5-8(6-4-7)9(11)10-2/h3-6H,1-2H3
InChIKey QDCGALYJVNRRBA-UHFFFAOYSA-N
Mol Weight 166.24 g/mol
Molecular Formula C9H10OS
Exact Mass 166.045236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID e4HyHoeWzJ
Name 4-Methylbenzenecarbothioic acid O-methyl ester
CAS Registry Number 5977-80-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10OS
InChI InChI=1S/C9H10OS/c1-7-3-5-8(6-4-7)9(11)10-2/h3-6H,1-2H3
InChIKey QDCGALYJVNRRBA-UHFFFAOYSA-N
Molecular Weight 166.238 g/mol
SMILES C(c1ccc(C)cc1)(=S)OC
SPLASH splash10-00xr-1900000000-619b9d2151f0fa37fd55
Source of Spectrum O-3-2611-0
Synonyms O-Methyl 4-methylbenzenecarbothioate 4-Methylthiobenzoic acid O-methyl ester
Wiley ID 1162111