| SpectraBase Spectrum ID |
3kLNQcH0z54 |
| Name |
Chloroacetic acid, 3-phenylprop-2-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.044757292 u |
| Formula |
C11H11ClO2 |
| InChI |
InChI=1S/C11H11ClO2/c12-9-11(13)14-8-4-7-10-5-2-1-3-6-10/h1-7H,8-9H2/b7-4+ |
| InChIKey |
ZRCYVESZEBKTTA-QPJJXVBHSA-N |
| Molecular Weight |
210.660 g/mol |
| SMILES |
C1=CC=CC=C1\C=C\COC(=O)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865861 |
