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2-(1',3'-Dioxan-2'-yl)-3-phenylpropanal

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

2-(1',3'-Dioxan-2'-yl)-3-phenylpropanal
SpectraBase Compound ID As1cR6tHvpI
InChI InChI=1S/C13H16O3/c14-10-12(13-15-7-4-8-16-13)9-11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9H2
InChIKey ANUUSWMHEQRCSL-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H0l8udidcbt
Name 2-(1',3'-Dioxan-2'-yl)-3-phenylpropanal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.109944372 u
Formula C13H16O3
InChI InChI=1S/C13H16O3/c14-10-12(13-15-7-4-8-16-13)9-11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9H2
InChIKey ANUUSWMHEQRCSL-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES C1(OCCCO1)C(CC1=CC=CC=C1)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939771