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cis-5-(1-Methylethyl)-2-n-hexyl-1,3-dioxane

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

cis-5-(1-Methylethyl)-2-n-hexyl-1,3-dioxane
SpectraBase Compound ID Jouiu9WmLmM
InChI InChI=1S/C13H26O2/c1-4-5-6-7-8-13-14-9-12(10-15-13)11(2)3/h11-13H,4-10H2,1-3H3/t12-,13+
InChIKey RHQYBHBQCGBFMR-BETUJISGSA-N
Mol Weight 214.35 g/mol
Molecular Formula C13H26O2
Exact Mass 214.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C6jzf3fJBL7
Name cis-5-(1-Methylethyl)-2-N-hexyl-1,3-dioxane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.193280075 u
Formula C13H26O2
InChI InChI=1S/C13H26O2/c1-4-5-6-7-8-13-14-9-12(10-15-13)11(2)3/h11-13H,4-10H2,1-3H3/t12-,13+
InChIKey RHQYBHBQCGBFMR-BETUJISGSA-N
Molecular Weight 214.349 g/mol
SMILES [C@]1(OC[C@](CO1)(C(C)C)[H])(CCCCCC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935094