SpectraBase Spectrum ID |
G0mnYkeOlF8 |
Name |
Picolinyl 9,19-hexacosadienoate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
483.407629949 u |
Formula |
C32H53NO2 |
InChI |
InChI=1S/C32H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-32(34)35-30-31-26-25-28-33-29-31/h7-8,17-18,25-26,28-29H,2-6,9-16,19-24,27,30H2,1H3/b8-7-,18-17- |
InChIKey |
PUVSNIPLRBPVNT-GROAESOISA-N |
Molecular Weight |
483.781 g/mol |
SMILES |
C(CC(=O)OCC1=CC=CN=C1)CCCCC\C=C/CCCCCCCC\C=C/CCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961092 |