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Decanoic acid, 2-(phenylthio)-, ethyl ester
SpectraBase Compound ID FKXtShNOTQA
InChI InChI=1S/C18H28O2S/c1-3-5-6-7-8-12-15-17(18(19)20-4-2)21-16-13-10-9-11-14-16/h9-11,13-14,17H,3-8,12,15H2,1-2H3
InChIKey NYMCIBSFBBKSQQ-UHFFFAOYSA-N
Mol Weight 308.48 g/mol
Molecular Formula C18H28O2S
Exact Mass 308.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92GvAzF7SuW
Name Decanoic acid, 2-(phenylthio)-, ethyl ester
CAS Registry Number 54532-96-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O2S
InChI InChI=1S/C18H28O2S/c1-3-5-6-7-8-12-15-17(18(19)20-4-2)21-16-13-10-9-11-14-16/h9-11,13-14,17H,3-8,12,15H2,1-2H3
InChIKey NYMCIBSFBBKSQQ-UHFFFAOYSA-N
Molecular Weight 308.480 g/mol
SMILES C(C(Sc1ccccc1)CCCCCCCC)(=O)OCC
SPLASH splash10-0bti-8964000000-a442c3d5c5a2883dc011
Source of Spectrum C-98-4897-0
Synonyms Ethyl 2-(phenylsulfanyl)decanoate Ethyl 2-phenylthiodecanoate
Wiley ID 1309897