| SpectraBase Spectrum ID |
Bx5HewbMWka |
| Name |
(Z)-3-Chloro-3-decenoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.123007614 u |
| Formula |
C12H21ClO2 |
| InChI |
InChI=1S/C12H21ClO2/c1-3-5-6-7-8-9-11(13)10-12(14)15-4-2/h9H,3-8,10H2,1-2H3/b11-9- |
| InChIKey |
PIBFYWYIZDHWJL-LUAWRHEFSA-N |
| Molecular Weight |
232.751 g/mol |
| SMILES |
C(C(=O)OCC)\C(=C\CCCCCC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822418 |
