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Methyl 20-methyl-hexacosanoate

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

Methyl 20-methyl-hexacosanoate
SpectraBase Compound ID B6bPz6m6QLn
InChI InChI=1S/C28H56O2/c1-4-5-6-21-24-27(2)25-22-19-17-15-13-11-9-7-8-10-12-14-16-18-20-23-26-28(29)30-3/h27H,4-26H2,1-3H3
InChIKey RDJVDACNCTYSCI-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 8jmD33DMOd7
Name Methyl 20-methyl-hexacosanoate
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/c1-4-5-6-21-24-27(2)25-22-19-17-15-13-11-9-7-8-10-12-14-16-18-20-23-26-28(29)30-3/h27H,4-26H2,1-3H3
InChIKey RDJVDACNCTYSCI-UHFFFAOYSA-N
Molecular Weight 424.754 g/mol
SMILES C(CCCCCCCCCCCCCCCC(CCCCCC)C)CCC(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840016