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I-Propyl 24-methyl-pentacosanoate

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

I-Propyl 24-methyl-pentacosanoate
SpectraBase Compound ID DDMjU1Zp4XH
InChI InChI=1S/C29H58O2/c1-27(2)25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-29(30)31-28(3)4/h27-28H,5-26H2,1-4H3
InChIKey WATGTZQYUUUKDU-UHFFFAOYSA-N
Mol Weight 438.8 g/mol
Molecular Formula C29H58O2
Exact Mass 438.443681 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1E8OiNn3PjU
Name I-Propyl 24-methyl-pentacosanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.443681106 u
Formula C29H58O2
InChI InChI=1S/C29H58O2/c1-27(2)25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-29(30)31-28(3)4/h27-28H,5-26H2,1-4H3
InChIKey WATGTZQYUUUKDU-UHFFFAOYSA-N
Molecular Weight 438.781 g/mol
SMILES C(CCCCCCCCCCCCCCCCCCCCCC(C)C)C(=O)OC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877031