| SpectraBase Spectrum ID |
JosYGCtn5QU |
| Name |
Picolinyl eicosa-11-en-14-ynoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.298079498 u |
| Formula |
C26H39NO2 |
| InChI |
InChI=1S/C26H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(28)29-24-25-20-19-22-27-23-25/h9-10,19-20,22-23H,2-5,8,11-18,21,24H2,1H3/b10-9- |
| InChIKey |
OMOJFINVTMVGFA-KTKRTIGZSA-N |
| Molecular Weight |
397.603 g/mol |
| SMILES |
C(CC(=O)OCC1=CC=CN=C1)CCCCCCC\C=C/CC#CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932965 |
