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Hexacosanoic acid, 5-methyl-, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Hexacosanoic acid, 5-methyl-, methyl ester
SpectraBase Compound ID 9OUrwRXqFaJ
InChI InChI=1S/C28H56O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(2)25-23-26-28(29)30-3/h27H,4-26H2,1-3H3
InChIKey ZNCXGXZOZCBPAI-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

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SpectraBase Spectrum ID 2vtky69c42e
Name Hexacosanoic acid, 5-methyl-, methyl ester
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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(2)25-23-26-28(29)30-3/h27H,4-26H2,1-3H3
InChIKey ZNCXGXZOZCBPAI-UHFFFAOYSA-N
Molecular Weight 424.754 g/mol
SMILES C(CCCCCCCCCCCCCCCCCCCC)C(CCCC(OC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918988