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

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

2-Cyclohexen-1-one, 3-hydroxy-5-(1-methylethyl)-2-propyl-, (.+-.)-
SpectraBase Compound ID Dcnp1TvDBpi
InChI InChI=1S/C12H20O2/c1-4-5-10-11(13)6-9(8(2)3)7-12(10)14/h8-9,13H,4-7H2,1-3H3
InChIKey HAUPSJLKEMKYHD-UHFFFAOYSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JRGdYSxIOrA
Name 2-Cyclohexen-1-one, 3-hydroxy-5-(1-methylethyl)-2-propyl-, (.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.146329882 u
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-4-5-10-11(13)6-9(8(2)3)7-12(10)14/h8-9,13H,4-7H2,1-3H3
InChIKey HAUPSJLKEMKYHD-UHFFFAOYSA-N
Molecular Weight 196.290 g/mol
SMILES C1(=C(CC(CC1=O)C(C)C)O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921023