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4-Oxo-2-(phenylthio)pentanal

View entire compound with spectra: 1 MS (GC)

4-Oxo-2-(phenylthio)pentanal
SpectraBase Compound ID D7SFbifPI7V
InChI InChI=1S/C11H12O2S/c1-9(13)7-11(8-12)14-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3
InChIKey UACFVSRYIIAXKH-UHFFFAOYSA-N
Mol Weight 208.27 g/mol
Molecular Formula C11H12O2S
Exact Mass 208.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8KTkjwwWbp
Name 4-Oxo-2-(phenylthio)pentanal
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2S
InChI InChI=1S/C11H12O2S/c1-9(13)7-11(8-12)14-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3
InChIKey UACFVSRYIIAXKH-UHFFFAOYSA-N
Molecular Weight 208.275 g/mol
SMILES C(Sc1ccccc1)(CC(=O)C)C=O
SPLASH splash10-052r-0960000000-9d64b782cfa48641c8a4
Source of Spectrum J-60-8388-1
Synonyms 4-keto-2-(phenylthio)valeraldehyde 4-oxidanylidene-2-phenylsulfanyl-pentanal 4-oxo-2-phenylsulfanylpentanal
Wiley ID 1206497