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Glutaric acid, dec-2-yl dec-4-enyl ester

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

Glutaric acid, dec-2-yl dec-4-enyl ester
SpectraBase Compound ID FXVnhauhiau
InChI InChI=1S/C25H46O4/c1-4-6-8-10-12-13-15-17-22-28-24(26)20-18-21-25(27)29-23(3)19-16-14-11-9-7-5-2/h12-13,23H,4-11,14-22H2,1-3H3/b13-12+
InChIKey JVIQKCVJFQHSDQ-OUKQBFOZSA-N
Mol Weight 410.6 g/mol
Molecular Formula C25H46O4
Exact Mass 410.33961 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KWmwsXegIrA
Name Glutaric acid, dec-2-yl dec-4-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.339609957 u
Formula C25H46O4
InChI InChI=1S/C25H46O4/c1-4-6-8-10-12-13-15-17-22-28-24(26)20-18-21-25(27)29-23(3)19-16-14-11-9-7-5-2/h12-13,23H,4-11,14-22H2,1-3H3/b13-12+
InChIKey JVIQKCVJFQHSDQ-OUKQBFOZSA-N
Molecular Weight 410.639 g/mol
SMILES C(CCC(OC(CCCCCCCC)C)=O)C(OCCC\C=C\CCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932321