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3,5-Di-tert-butylcyclohexane-1,2-diol

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

3,5-Di-tert-butylcyclohexane-1,2-diol
SpectraBase Compound ID 3hvpHPgjikh
InChI InChI=1S/C14H28O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h9-12,15-16H,7-8H2,1-6H3
InChIKey NOPMNORCNWUTFF-UHFFFAOYSA-N
Mol Weight 228.38 g/mol
Molecular Formula C14H28O2
Exact Mass 228.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LcDXnu1G3Z
Name 3,5-di-Tert-butylcyclohexane-1,2-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.208930140 u
Formula C14H28O2
InChI InChI=1S/C14H28O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h9-12,15-16H,7-8H2,1-6H3
InChIKey NOPMNORCNWUTFF-UHFFFAOYSA-N
Molecular Weight 228.376 g/mol
SMILES C1C(C(O)C(CC1C(C)(C)C)C(C)(C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975461