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(E)-1-(phenylthio)-1-hexen-3-one
SpectraBase Compound ID Aqcv6Q8hTlh
InChI InChI=1S/C12H14OS/c1-2-6-11(13)9-10-14-12-7-4-3-5-8-12/h3-5,7-10H,2,6H2,1H3/b10-9+
InChIKey UWJSQOLIAHSQTO-MDZDMXLPSA-N
Mol Weight 206.3 g/mol
Molecular Formula C12H14OS
Exact Mass 206.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKMA4PWAQb3
Name (E)-1-(phenylthio)-1-hexen-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14OS
InChI InChI=1S/C12H14OS/c1-2-6-11(13)9-10-14-12-7-4-3-5-8-12/h3-5,7-10H,2,6H2,1H3/b10-9+
InChIKey UWJSQOLIAHSQTO-MDZDMXLPSA-N
Molecular Weight 206.303 g/mol
SMILES c1(S\C=C\C(=O)CCC)ccccc1
SPLASH splash10-08fr-0910000000-2c0fa126268f72843b3a
Source of Spectrum J-59-7382-19
Synonyms (E)-1-(phenylthio)hex-1-en-3-one (E)-1-phenylsulfanylhex-1-en-3-one
Wiley ID 1204335