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Ethyl 5-phenoxy-4-(phenylthio)pentanoate
SpectraBase Compound ID 7qrDXb5AY8s
InChI InChI=1S/C19H22O3S/c1-2-21-19(20)14-13-18(23-17-11-7-4-8-12-17)15-22-16-9-5-3-6-10-16/h3-12,18H,2,13-15H2,1H3
InChIKey SQEBXCWKIWWAIK-UHFFFAOYSA-N
Mol Weight 330.44 g/mol
Molecular Formula C19H22O3S
Exact Mass 330.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GfqT5gkRTy7
Name Ethyl 5-phenoxy-4-(phenylthio)pentanoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O3S
InChI InChI=1S/C19H22O3S/c1-2-21-19(20)14-13-18(23-17-11-7-4-8-12-17)15-22-16-9-5-3-6-10-16/h3-12,18H,2,13-15H2,1H3
InChIKey SQEBXCWKIWWAIK-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000657
Molecular Weight 330.442 g/mol
Reported Formula C19H22O3S
SMILES C(CC(COc1ccccc1)Sc1ccccc1)C(OCC)=O
SPLASH splash10-000b-2930000000-14184dbde275091cd265
Source of Spectrum ASC-362-SM17-9d
Wiley ID 1855548