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Methyl 18-methyl-tetracosanoate

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

Methyl 18-methyl-tetracosanoate
SpectraBase Compound ID JQxVNKN8GnS
InChI InChI=1S/C26H52O2/c1-4-5-6-19-22-25(2)23-20-17-15-13-11-9-7-8-10-12-14-16-18-21-24-26(27)28-3/h25H,4-24H2,1-3H3
InChIKey KXGVRRHDJHPIRO-UHFFFAOYSA-N
Mol Weight 396.7 g/mol
Molecular Formula C26H52O2
Exact Mass 396.396731 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GIWMbhGDO9H
Name Methyl 18-methyl-tetracosanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.396730912 u
Formula C26H52O2
InChI InChI=1S/C26H52O2/c1-4-5-6-19-22-25(2)23-20-17-15-13-11-9-7-8-10-12-14-16-18-21-24-26(27)28-3/h25H,4-24H2,1-3H3
InChIKey KXGVRRHDJHPIRO-UHFFFAOYSA-N
Molecular Weight 396.700 g/mol
SMILES C(CCCCCCCCCCCCCC(CCCCCC)C)CCC(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.834032