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2-Hydroxy-3-(4-methoxyphenyl)-1-cyclohex-2-enone

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

2-Hydroxy-3-(4-methoxyphenyl)-1-cyclohex-2-enone
SpectraBase Compound ID 5BZfnijs40D
InChI InChI=1S/C13H14O3/c1-16-10-7-5-9(6-8-10)11-3-2-4-12(14)13(11)15/h5-8,15H,2-4H2,1H3
InChIKey YZZPXYHBAFESSG-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 1iFR9i8K20J
Name 2-Hydroxy-3-(4-methoxyphenyl)-1-cyclohex-2-enone
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)11-3-2-4-12(14)13(11)15/h5-8,15H,2-4H2,1H3
InChIKey YZZPXYHBAFESSG-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES C1(=C(C=2C=CC(=CC2)OC)CCCC1=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943675