SpectraBase Spectrum ID |
ANCcBxwnsbY |
Name |
Picolinyl 9-nonadecenoate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
387.313729562 u |
Formula |
C25H41NO2 |
InChI |
InChI=1S/C25H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(27)28-23-24-19-18-21-26-22-24/h10-11,18-19,21-22H,2-9,12-17,20,23H2,1H3/b11-10- |
InChIKey |
BVZNNGGDDHTYIQ-KHPPLWFESA-N |
Molecular Weight |
387.608 g/mol |
SMILES |
C1=CN=CC(=C1)COC(CCCCCCC\C=C/CCCCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970641 |