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Trans-6-allyl-2,2-dimethyl-4-phenyl-[1,3]dioxane

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

Trans-6-allyl-2,2-dimethyl-4-phenyl-[1,3]dioxane
SpectraBase Compound ID 18WmKXEseVV
InChI InChI=1S/C15H20O2/c1-4-8-13-11-14(17-15(2,3)16-13)12-9-6-5-7-10-12/h4-7,9-10,13-14H,1,8,11H2,2-3H3/t13-,14+/m1/s1
InChIKey LPZNFDHVTSQIGG-KGLIPLIRSA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KAeW3TsVqzg
Name Trans-6-allyl-2,2-dimethyl-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 232.146329882 u
Formula C15H20O2
InChI InChI=1S/C15H20O2/c1-4-8-13-11-14(17-15(2,3)16-13)12-9-6-5-7-10-12/h4-7,9-10,13-14H,1,8,11H2,2-3H3/t13-,14+/m1/s1
InChIKey LPZNFDHVTSQIGG-KGLIPLIRSA-N
Molecular Weight 232.323 g/mol
SMILES C1(O[C@@](C[C@](O1)(CC=C)[H])(C1=CC=CC=C1)[H])(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936634