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Succinic acid, (5-ethyl-1,3-dioxan-5-yl)methyl propyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Succinic acid, (5-ethyl-1,3-dioxan-5-yl)methyl propyl ester
SpectraBase Compound ID I9nlLzM9LDb
InChI InChI=1S/C14H24O6/c1-3-7-19-12(15)5-6-13(16)20-10-14(4-2)8-17-11-18-9-14/h3-11H2,1-2H3
InChIKey IOUWOUUOJBEKNI-UHFFFAOYSA-N
Mol Weight 288.34 g/mol
Molecular Formula C14H24O6
Exact Mass 288.157288 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2y8xWArr2fD
Name Succinic acid, (5-ethyl-1,3-dioxan-5-yl)methyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.157288487 u
Formula C14H24O6
InChI InChI=1S/C14H24O6/c1-3-7-19-12(15)5-6-13(16)20-10-14(4-2)8-17-11-18-9-14/h3-11H2,1-2H3
InChIKey IOUWOUUOJBEKNI-UHFFFAOYSA-N
SMILES C(CCC(OCCC)=O)(=O)OCC1(CC)COCOC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.984849