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2-Cyclohexen-1-one, 3-hydroxy-5-(1-methylethyl)-2-(2-propenyl)-, (.+-.)-

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

2-Cyclohexen-1-one, 3-hydroxy-5-(1-methylethyl)-2-(2-propenyl)-, (.+-.)-
SpectraBase Compound ID 1JMt2KEUuLn
InChI InChI=1S/C12H18O2/c1-4-5-10-11(13)6-9(8(2)3)7-12(10)14/h4,8-9,13H,1,5-7H2,2-3H3
InChIKey MGVAJSYFTHMWIM-UHFFFAOYSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5bin7XnMoSK
Name 2-Cyclohexen-1-one, 3-hydroxy-5-(1-methylethyl)-2-(2-propenyl)-, (.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.130679818 u
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-4-5-10-11(13)6-9(8(2)3)7-12(10)14/h4,8-9,13H,1,5-7H2,2-3H3
InChIKey MGVAJSYFTHMWIM-UHFFFAOYSA-N
Molecular Weight 194.274 g/mol
SMILES C1(=C(CC(CC1=O)C(C)C)O)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868942