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(E)-3-(phenylmethyl)-3-hexen-2-one
SpectraBase Compound ID BToTGV1MRYs
InChI InChI=1S/C13H16O/c1-3-7-13(11(2)14)10-12-8-5-4-6-9-12/h4-9H,3,10H2,1-2H3/b13-7+
InChIKey RSSNFHCRJSMSBA-NTUHNPAUSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LOnDp2t1PZI
Name (E)-3-(phenylmethyl)-3-hexen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O
InChI InChI=1S/C13H16O/c1-3-7-13(11(2)14)10-12-8-5-4-6-9-12/h4-9H,3,10H2,1-2H3/b13-7+
InChIKey RSSNFHCRJSMSBA-NTUHNPAUSA-N
Molecular Weight 188.270 g/mol
SMILES C(\C(Cc1ccccc1)=C\CC)(=O)C
SPLASH splash10-0006-8900000000-71003709228d405be268
Source of Spectrum SK-27-1161-3
Synonyms (E)-3-(phenylmethyl)hex-3-en-2-one (E)-3-benzylhex-3-en-2-one
Wiley ID 867829