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S-ethyl 3-methylbenzothioate
SpectraBase Compound ID DBxILpSoh3u
InChI InChI=1S/C10H12OS/c1-3-12-10(11)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKey BMMBPKGCRIBKFY-UHFFFAOYSA-N
Mol Weight 180.26 g/mol
Molecular Formula C10H12OS
Exact Mass 180.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LmslX5v4ZBl
Name S-ethyl 3-methylbenzenecarbothioate
CAS Registry Number 28145-61-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12OS
InChI InChI=1S/C10H12OS/c1-3-12-10(11)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKey BMMBPKGCRIBKFY-UHFFFAOYSA-N
Molecular Weight 180.265 g/mol
SMILES C(c1cc(C)ccc1)(=O)SCC
SPLASH splash10-0a4i-5900000000-aaee91cd05a4e2de3c61
Source of Spectrum O-3-2624-0
Synonyms 3-Methylbenzenecarbothioic acid S-ethyl ester
Wiley ID 1176040