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O-ethyl 3-methylbenzenecarbothioate
SpectraBase Compound ID KgjKgrPDBwb
InChI InChI=1S/C10H12OS/c1-3-11-10(12)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKey LKTWGIIIVOSLTM-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 BGFplPP0gXP
Name O-ethyl 3-methylbenzenecarbothioate
CAS Registry Number 26028-05-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12OS
InChI InChI=1S/C10H12OS/c1-3-11-10(12)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKey LKTWGIIIVOSLTM-UHFFFAOYSA-N
Molecular Weight 180.265 g/mol
SMILES C(c1cc(C)ccc1)(=S)OCC
SPLASH splash10-05ir-2900000000-2dc4ff835056959e8349
Source of Spectrum O-3-2622-0
Synonyms 3-Methylbenzenecarbothioic acid O-ethyl ester
Wiley ID 1176042