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Methyl 16-pentacosenoate

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

Methyl 16-pentacosenoate
SpectraBase Compound ID Vcc3xgX1KA
InChI InChI=1S/C26H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-2/h10-11H,3-9,12-25H2,1-2H3/b11-10-
InChIKey AJDUFRFMJJKBAV-KHPPLWFESA-N
Mol Weight 394.7 g/mol
Molecular Formula C26H50O2
Exact Mass 394.381081 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3eJArihpNBd
Name Methyl 16-pentacosenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.381080848 u
Formula C26H50O2
InChI InChI=1S/C26H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-2/h10-11H,3-9,12-25H2,1-2H3/b11-10-
InChIKey AJDUFRFMJJKBAV-KHPPLWFESA-N
Molecular Weight 394.684 g/mol
SMILES C(CCCCCCCCCCC\C=C/CCCCCCCC)CCC(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967432