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2-Benzoyl-3-methyl-5-(methylthio)benzoic acid methyl ester
SpectraBase Compound ID B0BQ5YSDdXz
InChI InChI=1S/C17H16O3S/c1-11-9-13(21-3)10-14(17(19)20-2)15(11)16(18)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKey VOJIUNBSECRGMB-UHFFFAOYSA-N
Mol Weight 300.37 g/mol
Molecular Formula C17H16O3S
Exact Mass 300.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZtJwHDRShh
Name 2-Benzoyl-3-methyl-5-(methylthio)benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O3S
InChI InChI=1S/C17H16O3S/c1-11-9-13(21-3)10-14(17(19)20-2)15(11)16(18)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKey VOJIUNBSECRGMB-UHFFFAOYSA-N
Molecular Weight 300.372 g/mol
SMILES C(c1c(c(cc(c1)SC)C)C(c1ccccc1)=O)(=O)OC
SPLASH splash10-0gi0-0194000000-4074ddeae335e0481b40
Source of Spectrum J-64-6188-38
Synonyms Methyl 3-methyl-5-methylsulfanyl-2-(phenylcarbonyl)benzoate Methyl 2-benzoyl-3-methyl-5-methylsulfanylbenzoate
Wiley ID 1530758