| SpectraBase Spectrum ID |
9kuqT2tcnHC |
| Name |
Ethyl-(E)-3-(4-chlorophenyl)-acrylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.050236595 u |
| Formula |
C13H13ClO4 |
| InChI |
InChI=1S/C13H13ClO4/c1-2-17-13(16)9-18-12(15)8-5-10-3-6-11(14)7-4-10/h3-8H,2,9H2,1H3/b8-5+ |
| InChIKey |
DIUNYQXQTDCDGJ-VMPITWQZSA-N |
| Molecular Weight |
268.696 g/mol |
| SMILES |
C(OC(=O)COC(=O)\C=C\C1=CC=C(Cl)C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949728 |
