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Benzyl 3-oxo-5-phenylthiopentanoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzyl 3-oxo-5-phenylthiopentanoate
SpectraBase Compound ID 1YNsGzI1cyH
InChI InChI=1S/C18H18O3S/c19-16(11-12-22-17-9-5-2-6-10-17)13-18(20)21-14-15-7-3-1-4-8-15/h1-10H,11-14H2
InChIKey KCFYPYPXYWTREB-UHFFFAOYSA-N
Mol Weight 314.4 g/mol
Molecular Formula C18H18O3S
Exact Mass 314.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QlkjBbT0ky
Name Benzyl 3-oxo-5-phenylthiopentanoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O3S
InChI InChI=1S/C18H18O3S/c19-16(11-12-22-17-9-5-2-6-10-17)13-18(20)21-14-15-7-3-1-4-8-15/h1-10H,11-14H2
InChIKey KCFYPYPXYWTREB-UHFFFAOYSA-N
Molecular Weight 314.399 g/mol
SMILES C(C(=O)OCc1ccccc1)C(=O)CCSc1ccccc1
SPLASH splash10-0006-9400000000-8d4c6321792d257ecd83
Source of Spectrum H-66-859-0
Synonyms benzyl 3-oxo-5-(phenylsulfanyl)pentanoate
Wiley ID 1315063