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4-Oxo-5-(phenylthio)pentanal

View entire compound with spectra: 1 MS (GC)

4-Oxo-5-(phenylthio)pentanal
SpectraBase Compound ID ATgfy7qvGxA
InChI InChI=1S/C11H12O2S/c12-8-4-5-10(13)9-14-11-6-2-1-3-7-11/h1-3,6-8H,4-5,9H2
InChIKey ZDTAHUJMNHOIOW-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 9VxnJ4qGeSF
Name 4-Oxo-5-(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/c12-8-4-5-10(13)9-14-11-6-2-1-3-7-11/h1-3,6-8H,4-5,9H2
InChIKey ZDTAHUJMNHOIOW-UHFFFAOYSA-N
Molecular Weight 208.275 g/mol
SMILES C(Sc1ccccc1)C(=O)CCC=O
SPLASH splash10-00di-0940000000-d1e644b5a5a8838f9edb
Source of Spectrum J-60-8387-1
Synonyms 4-keto-5-(phenylthio)valeraldehyde 4-oxidanylidene-5-phenylsulfanyl-pentanal 4-oxo-5-phenylsulfanylpentanal
Wiley ID 1206498