| SpectraBase Spectrum ID |
6cKkQ3xoJP0 |
| Name |
(E)-Ethyl 2-(cyclododec-1-enyl)propionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.224580204 u |
| Formula |
C17H30O2 |
| InChI |
InChI=1S/C17H30O2/c1-3-19-17(18)15(2)16-13-11-9-7-5-4-6-8-10-12-14-16/h13,15H,3-12,14H2,1-2H3/b16-13+ |
| InChIKey |
ZGBJFACCFAJNOC-DTQAZKPQSA-N |
| Molecular Weight |
266.425 g/mol |
| SMILES |
C(C(\C1=C\CCCCCCCCCC1)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966216 |
