| SpectraBase Spectrum ID |
BTYTKXCbn5p |
| Name |
Picolinyl 7,17-tetracosadienoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.376329820 u |
| Formula |
C30H49NO2 |
| InChI |
InChI=1S/C30H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-30(32)33-28-29-24-23-26-31-27-29/h7-8,17-18,23-24,26-27H,2-6,9-16,19-22,25,28H2,1H3/b8-7-,18-17- |
| InChIKey |
PUJUWOBHZNRVPG-GROAESOISA-N |
| Molecular Weight |
455.727 g/mol |
| SMILES |
C(CC(=O)OCC1=CC=CN=C1)CCC\C=C/CCCCCCCC\C=C/CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970118 |
