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1-Phenyl-6-methyl-4-oxohept-1-ene

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

1-Phenyl-6-methyl-4-oxohept-1-ene
SpectraBase Compound ID JaIO1F2Yvcq
InChI InChI=1S/C14H18O/c1-12(2)11-14(15)10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6+
InChIKey QQIGGACKCKEYCV-RMKNXTFCSA-N
Mol Weight 202.3 g/mol
Molecular Formula C14H18O
Exact Mass 202.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KB787lnMWN6
Name 1-Phenyl-6-methyl-4-oxohept-1-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 202.135765199 u
Formula C14H18O
InChI InChI=1S/C14H18O/c1-12(2)11-14(15)10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6+
InChIKey QQIGGACKCKEYCV-RMKNXTFCSA-N
Molecular Weight 202.297 g/mol
SMILES C=1(\C=C\CC(=O)CC(C)C)C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.804494