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2,4-Dimethyl-6-(phenylthio)benzoic acid methyl ester
SpectraBase Compound ID 9MMV0pkL4Fq
InChI InChI=1S/C16H16O2S/c1-11-9-12(2)15(16(17)18-3)14(10-11)19-13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKey CZJMFLCVXZNKCE-UHFFFAOYSA-N
Mol Weight 272.36 g/mol
Molecular Formula C16H16O2S
Exact Mass 272.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RzWZhf1Bp
Name 2,4-Dimethyl-6-(phenylthio)benzoic acid methyl ester
CAS Registry Number 102736-34-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O2S
InChI InChI=1S/C16H16O2S/c1-11-9-12(2)15(16(17)18-3)14(10-11)19-13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKey CZJMFLCVXZNKCE-UHFFFAOYSA-N
Molecular Weight 272.362 g/mol
SMILES c1(c(Sc2ccccc2)cc(C)cc1C)C(=O)OC
SPLASH splash10-007c-0190000000-de399a0c49fd60bc67a5
Source of Spectrum F-65-7565-5a
Synonyms 2,4-Dimethyl-6-phenylsulfanyl-benzoic acid methyl ester Methyl 2,4-dimethyl-6-(phenylsulfanyl)benzoate Methyl 2,4-dimethyl-6-phenylsulfanylbenzoate Methyl 2,4-dimethyl-6-phenylsulfanyl-benzoate
Wiley ID 1680397