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Ethyl 4-(phenylthio)decanoate

View entire compound with spectra: 1 MS (GC)

Ethyl 4-(phenylthio)decanoate
SpectraBase Compound ID 7PF0TqapsyC
InChI InChI=1S/C18H28O2S/c1-3-5-6-8-13-17(14-15-18(19)20-4-2)21-16-11-9-7-10-12-16/h7,9-12,17H,3-6,8,13-15H2,1-2H3
InChIKey PGGNLGQDTAITPW-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 35B1pNDIp43
Name Ethyl 4-(phenylthio)decanoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O2S
InChI InChI=1S/C18H28O2S/c1-3-5-6-8-13-17(14-15-18(19)20-4-2)21-16-11-9-7-10-12-16/h7,9-12,17H,3-6,8,13-15H2,1-2H3
InChIKey PGGNLGQDTAITPW-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000657
Molecular Weight 308.480 g/mol
SMILES C(CC(CCCCCC)Sc1ccccc1)C(OCC)=O
SPLASH splash10-0909-2900000000-c7396a28739310f7590d
Source of Spectrum ASC-362-SM16-9a
Wiley ID 1855546