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Methyl 5,9-octacosadienoate

View entire compound with spectra: 1 NMR

Methyl 5,9-octacosadienoate
SpectraBase Compound ID 8HuZ50cim2G
InChI InChI=1S/C29H54O2/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(30)31-2/h20-21,24-25H,3-19,22-23,26-28H2,1-2H3/b21-20-,25-24-
InChIKey MUZZARJIWAPVLJ-GPIXMANTSA-N
Mol Weight 434.7 g/mol
Molecular Formula C29H54O2
Exact Mass 434.412381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CFxuSMIFUaN
Name Methyl 5,9-octacosadienoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.412380977 u
Formula C29H54O2
InChI InChI=1S/C29H54O2/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(30)31-2/h20-21,24-25H,3-19,22-23,26-28H2,1-2H3/b21-20-,25-24-
InChIKey MUZZARJIWAPVLJ-GPIXMANTSA-N
Molecular Weight 434.749 g/mol
SMILES C(CC\C=C/CC\C=C/CCCCCCCCCCCCCCCCCC)C(=O)OC