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5-Phenylhexa-3,4-dien-2-one
SpectraBase Compound ID ILtWDMf4GB2
InChI InChI=1S/C12H12O/c1-10(8-9-11(2)13)12-6-4-3-5-7-12/h3-7,9H,1-2H3
InChIKey LJZAZQKELWQNSH-UHFFFAOYSA-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 9gMm0pQyVQT
Name 5-Phenylhexa-3,4-dien-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O
InChI InChI=1S/C12H12O/c1-10(8-9-11(2)13)12-6-4-3-5-7-12/h3-7,9H,1-2H3
InChIKey LJZAZQKELWQNSH-UHFFFAOYSA-N
Molecular Weight 172.227 g/mol
SMILES CC(C=C=C(C)c1ccccc1)=O
SPLASH splash10-0a4i-0900000000-193823e8414bb03e3134
Source of Spectrum HE-1999-1238-3
Synonyms 5-phenyl-3,4-hexadien-2-one
Wiley ID 1613499