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Succinic acid, cyclobutyl heptadecyl ester

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

Succinic acid, cyclobutyl heptadecyl ester
SpectraBase Compound ID 9jYMWCurpY3
InChI InChI=1S/C25H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-28-24(26)20-21-25(27)29-23-18-17-19-23/h23H,2-22H2,1H3
InChIKey FEJSLTUHZVBVKN-UHFFFAOYSA-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 LLDuI13Jgxo
Name Succinic acid, cyclobutyl heptadecyl 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-28-24(26)20-21-25(27)29-23-18-17-19-23/h23H,2-22H2,1H3
InChIKey FEJSLTUHZVBVKN-UHFFFAOYSA-N
Molecular Weight 410.639 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(CCC(OC1CCC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873656