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6-Phenylhexa-3,5-dien-2-one
SpectraBase Compound ID HCEaQylPJWR
InChI InChI=1S/C12H12O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-10H,1H3/b7-5+,10-6+
InChIKey PRNUCJKOERXADE-YLNKAEQOSA-N
Mol Weight 172.23 g/mol
Molecular Formula C12H12O
Exact Mass 172.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5oatwqIQZV3
Name 6-Phenylhexa-3,5-dien-2-one
Alternate Name(s) (E,E)-6-Phenyl-3,5-hexadien-2-one (3E,5E)-6-phenylhexa-3,5-dien-2-one (3E,5E)-6-phenyl-2-hexa-3,5-dienone 3,5-Hexadien-2-one, 6-phenyl-
CAS Registry Number 4173-44-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O
InChI InChI=1S/C12H12O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-10H,1H3/b7-5+,10-6+
InChIKey PRNUCJKOERXADE-YLNKAEQOSA-N
Literature Reference DOI 10.1002/adsc.200900902
Molecular Weight 172.227 g/mol
SMILES c1cc(\C=C\C=C\C(C)=O)ccc1
SPLASH splash10-05i3-3900000000-420656408dd175a8ac74
Source of Spectrum ASC-352-1135/SM16-6f
Wiley ID 1764416