| SpectraBase Spectrum ID |
CAYgfOeplJa |
| Name |
Methyl eicos-11-en-14-ynoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.271530397 u |
| Formula |
C21H36O2 |
| InChI |
InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-6,9,12-20H2,1-2H3/b11-10- |
| InChIKey |
KYRIAWNGCNHEDA-KHPPLWFESA-N |
| Molecular Weight |
320.517 g/mol |
| SMILES |
C(C(OC)=O)CCCCCCCC\C=C/CC#CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958027 |
