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1-(4-Methoxyphenyl)-2,2-dimethyl-4-penten-1-one

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

1-(4-Methoxyphenyl)-2,2-dimethyl-4-penten-1-one
SpectraBase Compound ID 7KhtX4qq9fJ
InChI InChI=1S/C14H18O2/c1-5-10-14(2,3)13(15)11-6-8-12(16-4)9-7-11/h5-9H,1,10H2,2-4H3
InChIKey MOEGNALNKKFVMT-UHFFFAOYSA-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 6Z4dEoIwBeP
Name 1-(4-Methoxyphenyl)-2,2-dimethyl-4-penten-1-one
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/c1-5-10-14(2,3)13(15)11-6-8-12(16-4)9-7-11/h5-9H,1,10H2,2-4H3
InChIKey MOEGNALNKKFVMT-UHFFFAOYSA-N
Molecular Weight 218.296 g/mol
SMILES C(C(CC=C)(C)C)(=O)C=1C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952261