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

*Links on SpectraBase are not permalinks.

5,9-Pentacosadienoic acid, pyrrolidide

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

5,9-Pentacosadienoic acid, pyrrolidide
SpectraBase Compound ID AknjvQC3SqY
InChI InChI=1S/C29H53NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29(31)30-27-24-25-28-30/h16-17,20-21H,2-15,18-19,22-28H2,1H3/b17-16-,21-20-
InChIKey MWFPCSZHAIZBKO-BQGUDHRMSA-N
Mol Weight 431.7 g/mol
Molecular Formula C29H53NO
Exact Mass 431.412715 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 FS5UpATRTyw
Name 5,9-Pentacosadienoic acid, pyrrolidide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.412715330 u
Formula C29H53NO
InChI InChI=1S/C29H53NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29(31)30-27-24-25-28-30/h16-17,20-21H,2-15,18-19,22-28H2,1H3/b17-16-,21-20-
InChIKey MWFPCSZHAIZBKO-BQGUDHRMSA-N
Molecular Weight 431.749 g/mol
SMILES C(N1CCCC1)(CCC\C=C/CC\C=C/CCCCCCCCCCCCCCC)=O