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4-Methylbenzenecarbothioic acid O-ethyl ester
SpectraBase Compound ID IaCJxfLUilf
InChI InChI=1S/C10H12OS/c1-3-11-10(12)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey CDEJGOAIQGUYRZ-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 2F8seMMBSfC
Name 4-Methylbenzenecarbothioic acid O-ethyl ester
Alternate Name(s) O-Ethyl 4-methylbenzenecarbothioate 4-Methylthiobenzoic acid O-ethyl ester
CAS Registry Number 26028-04-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12OS
InChI InChI=1S/C10H12OS/c1-3-11-10(12)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey CDEJGOAIQGUYRZ-UHFFFAOYSA-N
Molecular Weight 180.265 g/mol
SMILES C(c1ccc(cc1)C)(=S)OCC
SPLASH splash10-05fr-1900000000-b3bb07e038bf6d8a131d
Source of Spectrum O-3-2622-0
Wiley ID 1176043