| SpectraBase Spectrum ID |
74NBA5RrEuR |
| Name |
5,9-Pentacosadienoic acid, dmox derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.412715330 u |
| Formula |
C29H53NO |
| InChI |
InChI=1S/C29H53NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-29(2,3)27-31-28/h18-19,22-23H,4-17,20-21,24-27H2,1-3H3/b19-18-,23-22- |
| InChIKey |
HBNBIXZZTPZPJY-ZCIBKELESA-N |
| Molecular Weight |
431.749 g/mol |
| SMILES |
C=1(OCC(N1)(C)C)CCC\C=C/CC\C=C/CCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8501 |
