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Succinic acid, hexadecyl 3-methylbutyl ester

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

Succinic acid, hexadecyl 3-methylbutyl ester
SpectraBase Compound ID IYSSNLAyIlY
InChI InChI=1S/C25H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-24(26)18-19-25(27)29-22-20-23(2)3/h23H,4-22H2,1-3H3
InChIKey WHHCCCARNHOFCC-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 CA1K2YZ5UHW
Name Succinic acid, hexadecyl 3-methylbutyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-24(26)18-19-25(27)29-22-20-23(2)3/h23H,4-22H2,1-3H3
InChIKey WHHCCCARNHOFCC-UHFFFAOYSA-N
Molecular Weight 412.655 g/mol
SMILES C(C(OCCC(C)C)=O)CC(OCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809588