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4-(p-tolylthio)benzoic acid ethyl ester
SpectraBase Compound ID Ak3DAwWFMVv
InChI InChI=1S/C16H16O2S/c1-3-18-16(17)13-6-10-15(11-7-13)19-14-8-4-12(2)5-9-14/h4-11H,3H2,1-2H3
InChIKey WNNUWZJUTAZDAS-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 CRHdIdpEvwF
Name 4-(p-tolylthio)benzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O2S
InChI InChI=1S/C16H16O2S/c1-3-18-16(17)13-6-10-15(11-7-13)19-14-8-4-12(2)5-9-14/h4-11H,3H2,1-2H3
InChIKey WNNUWZJUTAZDAS-UHFFFAOYSA-N
Molecular Weight 272.362 g/mol
SMILES C(c1ccc(Sc2ccc(cc2)C)cc1)(=O)OCC
SPLASH splash10-00fr-1290000000-91aa1bbb3767cb99731c
Source of Spectrum J-61-7680-3
Synonyms 4-[(4-methylphenyl)thio]benzoic acid ethyl ester Ethyl 4-(p-tolylsulfanyl)benzoate
Wiley ID 1276237