| SpectraBase Spectrum ID |
Ec2iIW31Tpj |
| Name |
cis-11-Eicosenoic acid, picolinyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.329379627 u |
| Formula |
C26H43NO2 |
| InChI |
InChI=1S/C26H43NO2/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,2-8,11-18,21,24H2,1H3/b10-9- |
| InChIKey |
RCAMFWVYROVUPH-KTKRTIGZSA-N |
| Molecular Weight |
401.635 g/mol |
| SMILES |
C(=O)(OCC1=CC=CN=C1)CCCCCCCCC\C=C/CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961488 |
