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4-(4-Methoxyphenyl)-4,5,5-trimethyl-1-cyclopent-2-enone

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

4-(4-Methoxyphenyl)-4,5,5-trimethyl-1-cyclopent-2-enone
SpectraBase Compound ID HDtChyPojul
InChI InChI=1S/C15H18O2/c1-14(2)13(16)9-10-15(14,3)11-5-7-12(17-4)8-6-11/h5-10H,1-4H3
InChIKey QOIOLAOMRXUQFY-UHFFFAOYSA-N
Mol Weight 230.31 g/mol
Molecular Formula C15H18O2
Exact Mass 230.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K33z8Ftu6mQ
Name 4-(4-Methoxyphenyl)-4,5,5-trimethyl-1-cyclopent-2-enone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.130679818 u
Formula C15H18O2
InChI InChI=1S/C15H18O2/c1-14(2)13(16)9-10-15(14,3)11-5-7-12(17-4)8-6-11/h5-10H,1-4H3
InChIKey QOIOLAOMRXUQFY-UHFFFAOYSA-N
Molecular Weight 230.307 g/mol
SMILES C1(C=CC(C1(C)C)(C=1C=CC(=CC1)OC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924274