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(R)-3-(4-Methyl-1,3-cyclohexadienyl)butan-1-ol

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

(R)-3-(4-Methyl-1,3-cyclohexadienyl)butan-1-ol
SpectraBase Compound ID JqlF0Fw3Wyn
InChI InChI=1S/C11H18O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,5,10,12H,4,6-8H2,1-2H3/t10-/m1/s1
InChIKey ACTVFSVLDKSRQQ-SNVBAGLBSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1vaMsUuEviC
Name (R)-3-(4-Methyl-1,3-cyclohexadienyl)butan-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 166.135765199 u
Formula C11H18O
InChI InChI=1S/C11H18O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,5,10,12H,4,6-8H2,1-2H3/t10-/m1/s1
InChIKey ACTVFSVLDKSRQQ-SNVBAGLBSA-N
Molecular Weight 166.264 g/mol
SMILES C1(=CC=C(CC1)C)[C@@](CCO)(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933586