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5-(1,3-Dioxolan-2-yl)-2,2,6-trimethylheptan-3-ol

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

5-(1,3-Dioxolan-2-yl)-2,2,6-trimethylheptan-3-ol
SpectraBase Compound ID C8HVm3znIyM
InChI InChI=1S/C13H26O3/c1-9(2)10(12-15-6-7-16-12)8-11(14)13(3,4)5/h9-12,14H,6-8H2,1-5H3
InChIKey NATRNUHKXLPRGU-UHFFFAOYSA-N
Mol Weight 230.35 g/mol
Molecular Formula C13H26O3
Exact Mass 230.188195 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DthBQV6lUhD
Name 5-(1,3-Dioxolan-2-yl)-2,2,6-trimethylheptan-3-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.188194694 u
Formula C13H26O3
InChI InChI=1S/C13H26O3/c1-9(2)10(12-15-6-7-16-12)8-11(14)13(3,4)5/h9-12,14H,6-8H2,1-5H3
InChIKey NATRNUHKXLPRGU-UHFFFAOYSA-N
Molecular Weight 230.348 g/mol
SMILES C1COC(C(C(C)C)CC(C(C)(C)C)O)O1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981043