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Methyl 19-hexacosenoate

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

Methyl 19-hexacosenoate
SpectraBase Compound ID CE0gPa4bDHw
InChI InChI=1S/C27H52O2/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)29-2/h8-9H,3-7,10-26H2,1-2H3/b9-8-
InChIKey NQMAYSSBSGBGBU-HJWRWDBZSA-N
Mol Weight 408.7 g/mol
Molecular Formula C27H52O2
Exact Mass 408.396731 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AZtMtIIgBh4
Name Methyl 19-hexacosenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.396730912 u
Formula C27H52O2
InChI InChI=1S/C27H52O2/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)29-2/h8-9H,3-7,10-26H2,1-2H3/b9-8-
InChIKey NQMAYSSBSGBGBU-HJWRWDBZSA-N
Molecular Weight 408.711 g/mol
SMILES C(CCCCCCCCCCCCCC\C=C/CCCCCC)CCC(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95687