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2-[(4-Methoxyphenyl)-oxidanyl-methyl]cyclopent-2-en-1-one

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

2-[(4-Methoxyphenyl)-oxidanyl-methyl]cyclopent-2-en-1-one
SpectraBase Compound ID 8FhgF2sUiSm
InChI InChI=1S/C13H14O3/c1-16-10-7-5-9(6-8-10)13(15)11-3-2-4-12(11)14/h3,5-8,13,15H,2,4H2,1H3
InChIKey VUXSKTNXBJRYBH-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1FuJwP6amdF
Name 2-[(4-Methoxyphenyl)-oxidanyl-methyl]cyclopent-2-en-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.094294308 u
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-16-10-7-5-9(6-8-10)13(15)11-3-2-4-12(11)14/h3,5-8,13,15H,2,4H2,1H3
InChIKey VUXSKTNXBJRYBH-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES C1(C(=CCC1)C(C=1C=CC(=CC1)OC)O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.838624