| SpectraBase Spectrum ID |
7XLoiRqsbkI |
| Name |
2-Heptenoic acid, tridec-2-yn-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.255880333 u |
| Formula |
C20H34O2 |
| InChI |
InChI=1S/C20H34O2/c1-3-5-7-9-10-11-12-13-14-15-17-19-22-20(21)18-16-8-6-4-2/h16,18H,3-14,19H2,1-2H3/b18-16+ |
| InChIKey |
YNIDCNRJHZEQKP-FBMGVBCBSA-N |
| SMILES |
C(\C=C\CCCC)(OCC#CCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947395 |
