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3-Methylbenzenecarbothioic acid O-methyl ester
SpectraBase Compound ID 2HEIoPArF6Z
InChI InChI=1S/C9H10OS/c1-7-4-3-5-8(6-7)9(11)10-2/h3-6H,1-2H3
InChIKey UAYCSAUFIDRNDT-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 LdfHtYGEUId
Name 3-Methylbenzenecarbothioic acid O-methyl ester
CAS Registry Number 26027-98-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10OS
InChI InChI=1S/C9H10OS/c1-7-4-3-5-8(6-7)9(11)10-2/h3-6H,1-2H3
InChIKey UAYCSAUFIDRNDT-UHFFFAOYSA-N
Molecular Weight 166.238 g/mol
SMILES c1ccc(cc1C(OC)=S)C
SPLASH splash10-00xr-1900000000-b8d6781549be2b876dff
Source of Spectrum O-3-2611-0
Synonyms 3-Methylthiobenzoic acid O-methyl ester O-methyl 3-methylbenzenecarbothioate
Wiley ID 1162110