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4-(2,6,6-Trimethyl-1-cyclohexa-1,3-dienyl)-2-butanol

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

4-(2,6,6-Trimethyl-1-cyclohexa-1,3-dienyl)-2-butanol
SpectraBase Compound ID DdVGSfKXb1N
InChI InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6,11,14H,7-9H2,1-4H3
InChIKey WPGXAVCJKGSOBD-UHFFFAOYSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lkkl1MF8JxR
Name 4-(2,6,6-Trimethyl-1-cyclohexa-1,3-dienyl)-2-butanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.167065327 u
Formula C13H22O
InChI InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6,11,14H,7-9H2,1-4H3
InChIKey WPGXAVCJKGSOBD-UHFFFAOYSA-N
Molecular Weight 194.318 g/mol
SMILES C1(=C(C=CCC1(C)C)C)CCC(O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966331