For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Benzenepentanoic acid, .alpha.-[(ethylthio)carbonyl]-.alpha.-methyl-, ethyl ester
SpectraBase Compound ID GhHDFqR6kkW
InChI InChI=1S/C17H24O3S/c1-4-20-15(18)17(3,16(19)21-5-2)13-9-12-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3
InChIKey YZYGFWBDCRLKRI-UHFFFAOYSA-N
Mol Weight 308.44 g/mol
Molecular Formula C17H24O3S
Exact Mass 308.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5R5XvA8hcfG
Name Benzenepentanoic acid, .alpha.-[(ethylthio)carbonyl]-.alpha.-methyl-, ethyl ester
CAS Registry Number 114739-20-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3S
InChI InChI=1S/C17H24O3S/c1-4-20-15(18)17(3,16(19)21-5-2)13-9-12-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3
InChIKey YZYGFWBDCRLKRI-UHFFFAOYSA-N
Molecular Weight 308.436 g/mol
SMILES C(C(=O)SCC)(C(=O)OCC)(CCCc1ccccc1)C
SPLASH splash10-0006-9030000000-2f9931568cfd0ae39b15
Source of Spectrum C-110-4651-7
Synonyms Ethyl 2-[(ethylsulfanyl)carbonyl]-2-methyl-5-phenylpentanoate
Wiley ID 1309754