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(+-)-(4E)-6-methyl-3-phenylhepta-4,6-dien-2-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(+-)-(4E)-6-methyl-3-phenylhepta-4,6-dien-2-one
SpectraBase Compound ID 4vxHlq1NIDE
InChI InChI=1S/C14H16O/c1-11(2)9-10-14(12(3)15)13-7-5-4-6-8-13/h4-10,14H,1H2,2-3H3/b10-9+
InChIKey KKNZGHVFJORUEG-MDZDMXLPSA-N
Mol Weight 200.28 g/mol
Molecular Formula C14H16O
Exact Mass 200.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EI9HNTJ4jjn
Name (+-)-(4E)-6-methyl-3-phenylhepta-4,6-dien-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.120115134 u
Formula C14H16O
InChI InChI=1S/C14H16O/c1-11(2)9-10-14(12(3)15)13-7-5-4-6-8-13/h4-10,14H,1H2,2-3H3/b10-9+
InChIKey KKNZGHVFJORUEG-MDZDMXLPSA-N
Molecular Weight 200.281 g/mol
SMILES C(\C=C\C(=C)C)(C(=O)C)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875519