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

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

Succinic acid, butyl (5-ethyl-1,3-dioxan-5-yl)methyl ester
SpectraBase Compound ID 97lnXJosGDp
InChI InChI=1S/C15H26O6/c1-3-5-8-20-13(16)6-7-14(17)21-11-15(4-2)9-18-12-19-10-15/h3-12H2,1-2H3
InChIKey LBMOYNWVGASVGG-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C15H26O6
Exact Mass 302.172939 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9uRI3jnqELu
Name Succinic acid, butyl (5-ethyl-1,3-dioxan-5-yl)methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.172938551 u
Formula C15H26O6
InChI InChI=1S/C15H26O6/c1-3-5-8-20-13(16)6-7-14(17)21-11-15(4-2)9-18-12-19-10-15/h3-12H2,1-2H3
InChIKey LBMOYNWVGASVGG-UHFFFAOYSA-N
SMILES C(CCC(OCCCC)=O)(=O)OCC1(CC)COCOC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962288