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(E)-1-(phenethylthio)hex-1-en-3-one

View entire compound with spectra: 1 MS (GC)

(E)-1-(phenethylthio)hex-1-en-3-one
SpectraBase Compound ID 6BuLHeU1ABT
InChI InChI=1S/C14H18OS/c1-2-6-14(15)10-12-16-11-9-13-7-4-3-5-8-13/h3-5,7-8,10,12H,2,6,9,11H2,1H3/b12-10+
InChIKey MQXCONCGFQZCMG-ZRDIBKRKSA-N
Mol Weight 234.36 g/mol
Molecular Formula C14H18OS
Exact Mass 234.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4eAbkdCuv9
Name (E)-1-(phenethylthio)hex-1-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18OS
InChI InChI=1S/C14H18OS/c1-2-6-14(15)10-12-16-11-9-13-7-4-3-5-8-13/h3-5,7-8,10,12H,2,6,9,11H2,1H3/b12-10+
InChIKey MQXCONCGFQZCMG-ZRDIBKRKSA-N
Molecular Weight 234.357 g/mol
SMILES C(S\C=C\C(=O)CCC)Cc1ccccc1
SPLASH splash10-0563-0910000000-97093843ab87479182e9
Source of Spectrum J-59-7382-19
Synonyms (E)-1-(2-phenylethylthio)-1-hexen-3-one
Wiley ID 1236072