SpectraBase Spectrum ID |
BnYVja56VOl |
Name |
Picolinyl 8-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/h10-11,17-18,20-21H,2-9,12-16,19,22H2,1H3/b11-10- |
InChIKey |
VIFAKGYEJBPZLC-KHPPLWFESA-N |
Molecular Weight |
373.581 g/mol |
SMILES |
C1=CN=CC(=C1)COC(CCCCCC\C=C/CCCCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955168 |