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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 DG80kWmaK4e
Name S-methyl 4-methylbenzothioate
Appearance Light yellow liquid
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
Instrument Name Shimadzu-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202000520
Molecular Weight 166.238 g/mol
Reported Formula C9H10OS
SMILES Cc1ccc(cc1)C(=O)SC
SPLASH splash10-014i-6900000000-c0737ef4634db6e28d5a
Source of Spectrum AJO-9-SM22-4a
Wiley ID 1855703