For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Sebacic acid, 2-decyl hexyl ester

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

Sebacic acid, 2-decyl hexyl ester
SpectraBase Compound ID 7OLBaKICzkC
InChI InChI=1S/C26H50O4/c1-4-6-8-10-13-16-20-24(3)30-26(28)22-18-15-12-11-14-17-21-25(27)29-23-19-9-7-5-2/h24H,4-23H2,1-3H3
InChIKey VYVDKEHLDFIELJ-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ETBNj6GTG3v
Name Sebacic acid, 2-decyl 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/c1-4-6-8-10-13-16-20-24(3)30-26(28)22-18-15-12-11-14-17-21-25(27)29-23-19-9-7-5-2/h24H,4-23H2,1-3H3
InChIKey VYVDKEHLDFIELJ-UHFFFAOYSA-N
Molecular Weight 426.682 g/mol
SMILES C(CCCCCCCCC(OCCCCCC)=O)(OC(C)CCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873143