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4-METHYL-PHENYLTHIOLACETATE
SpectraBase Compound ID 7xXwgQDbUEW
InChI InChI=1S/C9H10OS/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
InChIKey XSQUNQSLEIFIHF-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 AkCO2Gopvzb
Name ETHANETHIOIC ACID, S-(4-METHYLPHENYL) ESTER
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 166.045236115 u
Formula C9H10OS
InChI InChI=1S/C9H10OS/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
InChIKey XSQUNQSLEIFIHF-UHFFFAOYSA-N
Molecular Weight 166.238 g/mol
Nominal Mass 166 u
Number of Peaks 52
SMILES CC(Sc1ccc(C)cc1)=O
SPLASH splash10-0006-9400000000-49d7eaec2c0337261889
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000967