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Trans-2-(pent-1-ynyl)cyclohexanol

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

Trans-2-(pent-1-ynyl)cyclohexanol
SpectraBase Compound ID 3ADp0FJ2eAr
InChI InChI=1S/C11H18O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h10-12H,2-3,5-6,8-9H2,1H3/t10-,11-/m0/s1
InChIKey QEJRJYDNWRJAMT-QWRGUYRKSA-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 60bWrkErS9W
Name Trans-2-(pent-1-ynyl)cyclohexanol
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/c1-2-3-4-7-10-8-5-6-9-11(10)12/h10-12H,2-3,5-6,8-9H2,1H3/t10-,11-/m0/s1
InChIKey QEJRJYDNWRJAMT-QWRGUYRKSA-N
Molecular Weight 166.264 g/mol
SMILES C(#CCCC)[C@@]1([C@@](O)(CCCC1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861888