| SpectraBase Spectrum ID |
2NnBRyNWbS4 |
| Name |
3-Chloropropanoic acid, 3-phenyl-2-propenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.060407357 u |
| Formula |
C12H13ClO2 |
| InChI |
InChI=1S/C12H13ClO2/c13-9-8-12(14)15-10-4-7-11-5-2-1-3-6-11/h1-7H,8-10H2/b7-4+ |
| InChIKey |
GTJORJHUVDVIRD-QPJJXVBHSA-N |
| Molecular Weight |
224.687 g/mol |
| SMILES |
C1(=CC=CC=C1)\C=C\COC(CCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974644 |
