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3-Hydroxy-2,5-dimethyl-4-(phenylthio)benzoic acid ethyl ester
SpectraBase Compound ID Ap8H6MUY9fS
InChI InChI=1S/C17H18O3S/c1-4-20-17(19)14-10-11(2)16(15(18)12(14)3)21-13-8-6-5-7-9-13/h5-10,18H,4H2,1-3H3
InChIKey QFUQKIPSKQMYLC-UHFFFAOYSA-N
Mol Weight 302.39 g/mol
Molecular Formula C17H18O3S
Exact Mass 302.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzFjRSwEKJ7
Name 3-Hydroxy-2,5-dimethyl-4-(phenylthio)benzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O3S
InChI InChI=1S/C17H18O3S/c1-4-20-17(19)14-10-11(2)16(15(18)12(14)3)21-13-8-6-5-7-9-13/h5-10,18H,4H2,1-3H3
InChIKey QFUQKIPSKQMYLC-UHFFFAOYSA-N
Molecular Weight 302.388 g/mol
SMILES Oc1c(c(cc(c1Sc1ccccc1)C)C(=O)OCC)C
SPLASH splash10-0udi-0149000000-f254bc7a08a5bb55feb0
Source of Spectrum J-66-7887-6
Synonyms Ethyl 2,5-dimethyl-3-oxidanyl-4-phenylsulfanyl-benzoate Ethyl 3-hydroxy-2,5-dimethyl-4-phenylsulfanylbenzoate
Wiley ID 1568469