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Succinic acid, octadecyl 2-propyl ester

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

Succinic acid, octadecyl 2-propyl ester
SpectraBase Compound ID 1oC02buR5dn
InChI InChI=1S/C25H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28-24(26)20-21-25(27)29-23(2)3/h23H,4-22H2,1-3H3
InChIKey BHJSOOCNNVUETA-UHFFFAOYSA-N
Mol Weight 412.7 g/mol
Molecular Formula C25H48O4
Exact Mass 412.35526 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 21IfioAvEiw
Name Succinic acid, octadecyl 2-propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.355260022 u
Formula C25H48O4
InChI InChI=1S/C25H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28-24(26)20-21-25(27)29-23(2)3/h23H,4-22H2,1-3H3
InChIKey BHJSOOCNNVUETA-UHFFFAOYSA-N
Molecular Weight 412.655 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(CCC(OC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.831625