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(Trans)-4-allyl-2-phenyl-1,3-dioxan-5-one

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

(Trans)-4-allyl-2-phenyl-1,3-dioxan-5-one
SpectraBase Compound ID 9KM41oRuYbt
InChI InChI=1S/C13H14O3/c1-2-6-12-11(14)9-15-13(16-12)10-7-4-3-5-8-10/h2-5,7-8,12-13H,1,6,9H2/t12-,13-/m0/s1
InChIKey IVFNMUQLVPVWHE-STQMWFEESA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dt09CnZRhbN
Name (Trans)-4-allyl-2-phenyl-1,3-dioxan-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.094294308 u
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-2-6-12-11(14)9-15-13(16-12)10-7-4-3-5-8-10/h2-5,7-8,12-13H,1,6,9H2/t12-,13-/m0/s1
InChIKey IVFNMUQLVPVWHE-STQMWFEESA-N
Molecular Weight 218.252 g/mol
SMILES [C@@]1(O[C@](C(CO1)=O)(CC=C)[H])(C1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.832718