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cis-5-(Cyclohexylmethyl)-2,2-dimethyl-4-phenyl-1,3-dioxan

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

cis-5-(Cyclohexylmethyl)-2,2-dimethyl-4-phenyl-1,3-dioxan
SpectraBase Compound ID 5WtCyDKNun
InChI InChI=1S/C19H28O2/c1-19(2)20-14-17(13-15-9-5-3-6-10-15)18(21-19)16-11-7-4-8-12-16/h4,7-8,11-12,15,17-18H,3,5-6,9-10,13-14H2,1-2H3/t17-,18-/m1/s1
InChIKey GKPMHVDIQBHZFO-QZTJIDSGSA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C0hoA8IWib6
Name cis-5-(Cyclohexylmethyl)-2,2-dimethyl-4-phenyl-1,3-dioxan
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.208930140 u
Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-19(2)20-14-17(13-15-9-5-3-6-10-15)18(21-19)16-11-7-4-8-12-16/h4,7-8,11-12,15,17-18H,3,5-6,9-10,13-14H2,1-2H3/t17-,18-/m1/s1
InChIKey GKPMHVDIQBHZFO-QZTJIDSGSA-N
SMILES [C@]1(OC(OC[C@]1(CC1CCCCC1)[H])(C)C)(C=1C=CC=CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.82111