For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

I-Propyl 5,9,19-octacosatrienoate

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

I-Propyl 5,9,19-octacosatrienoate
SpectraBase Compound ID ANwiK3xdiz7
InChI InChI=1S/C31H56O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31(32)33-30(2)3/h11-12,21-22,25-26,30H,4-10,13-20,23-24,27-29H2,1-3H3/b12-11-,22-21-,26-25-
InChIKey ZDTTYTXUZWVGMQ-AODFXWHJSA-N
Mol Weight 460.8 g/mol
Molecular Formula C31H56O2
Exact Mass 460.428031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2o848Q3Q7A9
Name I-Propyl 5,9,19-octacosatrienoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.428031041 u
Formula C31H56O2
InChI InChI=1S/C31H56O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31(32)33-30(2)3/h11-12,21-22,25-26,30H,4-10,13-20,23-24,27-29H2,1-3H3/b12-11-,22-21-,26-25-
InChIKey ZDTTYTXUZWVGMQ-AODFXWHJSA-N
Molecular Weight 460.787 g/mol
SMILES C(CC\C=C/CC\C=C/CCCCCCCC\C=C/CCCCCCCC)C(=O)OC(C)C