| SpectraBase Spectrum ID |
LWfyIZb7vwQ |
| Name |
Cyclobutanecarboxylic acid, undec-2-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.208930140 u |
| Formula |
C16H28O2 |
| InChI |
InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-14-18-16(17)15-12-11-13-15/h9-10,15H,2-8,11-14H2,1H3/b10-9+ |
| InChIKey |
SNBOCETUQHKRBT-MDZDMXLPSA-N |
| Molecular Weight |
252.398 g/mol |
| SMILES |
C1(CCC1)C(=O)OC\C=C\CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962233 |
