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Succinic acid, hexadecyl 2-hexyl ester

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

Succinic acid, hexadecyl 2-hexyl ester
SpectraBase Compound ID 4IfaCtKctou
InChI InChI=1S/C26H50O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-23-29-25(27)21-22-26(28)30-24(3)20-7-5-2/h24H,4-23H2,1-3H3
InChIKey GKWKMQTVMJBZMY-UHFFFAOYSA-N
Mol Weight 426.7 g/mol
Molecular Formula C26H50O4
Exact Mass 426.37091 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8AmzNvImqlb
Name Succinic acid, hexadecyl 2-hexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.370910086 u
Formula C26H50O4
InChI InChI=1S/C26H50O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-23-29-25(27)21-22-26(28)30-24(3)20-7-5-2/h24H,4-23H2,1-3H3
InChIKey GKWKMQTVMJBZMY-UHFFFAOYSA-N
Molecular Weight 426.682 g/mol
SMILES C(C(OC(C)CCCC)=O)CC(OCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.802531