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I-Propyl 5,9-pentacosadienoate

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

I-Propyl 5,9-pentacosadienoate
SpectraBase Compound ID DFUwq3qSNKL
InChI InChI=1S/C28H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(29)30-27(2)3/h18-19,22-23,27H,4-17,20-21,24-26H2,1-3H3/b19-18-,23-22-
InChIKey BVAIJEASQBTIRF-ZCIBKELESA-N
Mol Weight 420.7 g/mol
Molecular Formula C28H52O2
Exact Mass 420.396731 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GPNjN9Opc45
Name I-Propyl 5,9-pentacosadienoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.396730912 u
Formula C28H52O2
InChI InChI=1S/C28H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(29)30-27(2)3/h18-19,22-23,27H,4-17,20-21,24-26H2,1-3H3/b19-18-,23-22-
InChIKey BVAIJEASQBTIRF-ZCIBKELESA-N
Molecular Weight 420.722 g/mol
SMILES C(CC\C=C/CC\C=C/CCCCCCCCCCCCCCC)C(=O)OC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907728