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Succinic acid, docosyl ethyl ester

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

Succinic acid, docosyl ethyl ester
SpectraBase Compound ID 9BamrIdGb23
InChI InChI=1S/C28H54O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-32-28(30)25-24-27(29)31-4-2/h3-26H2,1-2H3
InChIKey YCQPFJXOUSFTOJ-UHFFFAOYSA-N
Mol Weight 454.7 g/mol
Molecular Formula C28H54O4
Exact Mass 454.40221 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6LdmJfYYbIf
Name Succinic acid, docosyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.402210215 u
Formula C28H54O4
InChI InChI=1S/C28H54O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-32-28(30)25-24-27(29)31-4-2/h3-26H2,1-2H3
InChIKey YCQPFJXOUSFTOJ-UHFFFAOYSA-N
Molecular Weight 454.736 g/mol
SMILES C(C(OCCCCCCCCCCCCCCCCCCCCCC)=O)CC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906202