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Sebacic acid, di(pent-4-enyl) ester

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

Sebacic acid, di(pent-4-enyl) ester
SpectraBase Compound ID LEkgsBxYrOz
InChI InChI=1S/C20H34O4/c1-3-5-13-17-23-19(21)15-11-9-7-8-10-12-16-20(22)24-18-14-6-4-2/h3-4H,1-2,5-18H2
InChIKey ZZKXHYGNRATKKE-UHFFFAOYSA-N
Mol Weight 338.5 g/mol
Molecular Formula C20H34O4
Exact Mass 338.24571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AypHXLItnxO
Name Sebacic acid, di(pent-4-enyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.245709571 u
Formula C20H34O4
InChI InChI=1S/C20H34O4/c1-3-5-13-17-23-19(21)15-11-9-7-8-10-12-16-20(22)24-18-14-6-4-2/h3-4H,1-2,5-18H2
InChIKey ZZKXHYGNRATKKE-UHFFFAOYSA-N
Molecular Weight 338.488 g/mol
SMILES C(CCCCCC(OCCCC=C)=O)CCC(OCCCC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927692