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Succinic acid, octadecyl pent-4-enyl ester

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

Succinic acid, octadecyl pent-4-enyl ester
SpectraBase Compound ID FeFVnO1U7xo
InChI InChI=1S/C27H50O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-31-27(29)23-22-26(28)30-24-20-6-4-2/h4H,2-3,5-25H2,1H3
InChIKey JWDPNUJKTJKLQU-UHFFFAOYSA-N
Mol Weight 438.7 g/mol
Molecular Formula C27H50O4
Exact Mass 438.37091 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1xTki65bvF0
Name Succinic acid, octadecyl pent-4-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.370910086 u
Formula C27H50O4
InChI InChI=1S/C27H50O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-31-27(29)23-22-26(28)30-24-20-6-4-2/h4H,2-3,5-25H2,1H3
InChIKey JWDPNUJKTJKLQU-UHFFFAOYSA-N
Molecular Weight 438.693 g/mol
SMILES C=CCCCOC(CCC(OCCCCCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.846842