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4-Methylbenzenecarbothioic acid S-methyl ester
SpectraBase Compound ID AO12zTaj590
InChI InChI=1S/C9H10OS/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3
InChIKey NSIWCLPQLNFFSQ-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 B1JX5kQEeoK
Name 4-Methylbenzenecarbothioic acid S-methyl ester
Alternate Name(s) 4-Methylthiobenzoic acid S-methyl ester S-methyl 4-methylbenzenecarbothioate
CAS Registry Number 5925-77-9
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(10)11-2/h3-6H,1-2H3
InChIKey NSIWCLPQLNFFSQ-UHFFFAOYSA-N
Molecular Weight 166.238 g/mol
SMILES C(c1ccc(cc1)C)(=O)SC
SPLASH splash10-0a6r-5900000000-b3584e472c0a555d42fb
Source of Spectrum O-3-2623-0
Wiley ID 1162109