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

*Links on SpectraBase are not permalinks.

Ethyl 23-methylpentacosanoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Ethyl 23-methylpentacosanoate
SpectraBase Compound ID GlRrQ5WqlUL
InChI InChI=1S/C28H56O2/c1-4-27(3)25-23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-26-28(29)30-5-2/h27H,4-26H2,1-3H3
InChIKey JMWDULDXZHGQIC-UHFFFAOYSA-N
Mol Weight 424.8 g/mol
Molecular Formula C28H56O2
Exact Mass 424.428031 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 CCqEfWHSrHX
Name Ethyl 23-methylpentacosanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.428031041 u
Formula C28H56O2
InChI InChI=1S/C28H56O2/c1-4-27(3)25-23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-26-28(29)30-5-2/h27H,4-26H2,1-3H3
InChIKey JMWDULDXZHGQIC-UHFFFAOYSA-N
Molecular Weight 424.754 g/mol
SMILES C(CCCCCCCCCCCCCCCCCCCCCC(CC)C)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943666