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Hex-1-en-3-one, 1-(4-methoxyphenyl)-6-methyl-

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Hex-1-en-3-one, 1-(4-methoxyphenyl)-6-methyl-
SpectraBase Compound ID 4PP7uOnoqn5
InChI InChI=1S/C14H18O2/c1-11(2)10-13(15)7-4-12-5-8-14(16-3)9-6-12/h4-9,11H,10H2,1-3H3/b7-4+
InChIKey HISPXTCMDDBNTK-QPJJXVBHSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2J3gpJCsIBr
Name hex-1-en-3-one, 1-(4-Methoxyphenyl)-6-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.130679818 u
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-11(2)10-13(15)7-4-12-5-8-14(16-3)9-6-12/h4-9,11H,10H2,1-3H3/b7-4+
InChIKey HISPXTCMDDBNTK-QPJJXVBHSA-N
Molecular Weight 218.296 g/mol
SMILES C1(\C=C\C(=O)CC(C)C)=CC=C(C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898117