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3-Hydroxy-5-methyl-4-(phenylthio)benzoic acid ethyl ester
SpectraBase Compound ID OgBANYI6zP
InChI InChI=1S/C16H16O3S/c1-3-19-16(18)12-9-11(2)15(14(17)10-12)20-13-7-5-4-6-8-13/h4-10,17H,3H2,1-2H3
InChIKey RFGIQAQFNCOVBV-UHFFFAOYSA-N
Mol Weight 288.36 g/mol
Molecular Formula C16H16O3S
Exact Mass 288.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JAgMfQVhdwJ
Name 3-Hydroxy-5-methyl-4-(phenylthio)benzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O3S
InChI InChI=1S/C16H16O3S/c1-3-19-16(18)12-9-11(2)15(14(17)10-12)20-13-7-5-4-6-8-13/h4-10,17H,3H2,1-2H3
InChIKey RFGIQAQFNCOVBV-UHFFFAOYSA-N
Molecular Weight 288.361 g/mol
SMILES Oc1c(c(cc(C(=O)OCC)c1)C)Sc1ccccc1
SPLASH splash10-000i-0190000000-33d4824298f451ef360b
Source of Spectrum J-66-7887-5
Synonyms Ethyl 3-methyl-5-oxidanyl-4-phenylsulfanyl-benzoate Ethyl 3-hydroxy-5-methyl-4-phenylsulfanylbenzoate
Wiley ID 1568472