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3,4-Heptadien-2-one, 5-phenyl-
SpectraBase Compound ID ey5NU9iCvg
InChI InChI=1S/C13H14O/c1-3-12(10-9-11(2)14)13-7-5-4-6-8-13/h4-9H,3H2,1-2H3
InChIKey GPEVHVZGFBZQJW-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C13H14O
Exact Mass 186.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E7eMNKgJJX6
Name 3,4-Heptadien-2-one, 5-phenyl-
CAS Registry Number 113486-11-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O
InChI InChI=1S/C13H14O/c1-3-12(10-9-11(2)14)13-7-5-4-6-8-13/h4-9H,3H2,1-2H3
InChIKey GPEVHVZGFBZQJW-UHFFFAOYSA-N
Molecular Weight 186.254 g/mol
SMILES C(=C=CC(=O)C)(c1ccccc1)CC
SPLASH splash10-004u-4900000000-7d2a4e2cc4a255cf67bd
Source of Spectrum F-43-2730-1
Synonyms 5-Phenyl-3,4-heptadien-2-one 5-Phenyl-hepta-3,4-dien-2-one
Wiley ID 1183423