SpectraBase Spectrum ID |
8jR9APgyiO7 |
Name |
Picolinyl 10-octadecenoate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
373.298079498 u |
Formula |
C24H39NO2 |
InChI |
InChI=1S/C24H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)27-22-23-18-17-20-25-21-23/h8-9,17-18,20-21H,2-7,10-16,19,22H2,1H3/b9-8- |
InChIKey |
ZHMZEGJOYMOTNI-HJWRWDBZSA-N |
Molecular Weight |
373.581 g/mol |
SMILES |
C1=CN=CC(=C1)COC(CCCCCCCC\C=C/CCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974962 |