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2,c-6-Dipentyl-c-4-phenyl-1,3-dioxane

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

2,c-6-Dipentyl-c-4-phenyl-1,3-dioxane
SpectraBase Compound ID JL0AcJqcyng
InChI InChI=1S/C20H32O2/c1-3-5-8-14-18-16-19(17-12-10-7-11-13-17)22-20(21-18)15-9-6-4-2/h7,10-13,18-20H,3-6,8-9,14-16H2,1-2H3
InChIKey IAEFOBNWWWOPFC-UHFFFAOYSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3O2HhPyoRHD
Name 2,C-6-Dipentyl-C-4-phenyl-1,3-dioxane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.240230268 u
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-3-5-8-14-18-16-19(17-12-10-7-11-13-17)22-20(21-18)15-9-6-4-2/h7,10-13,18-20H,3-6,8-9,14-16H2,1-2H3
InChIKey IAEFOBNWWWOPFC-UHFFFAOYSA-N
Molecular Weight 304.474 g/mol
SMILES C1(OC(OC(C1)CCCCC)CCCCC)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965871