| SpectraBase Compound ID | Jpp6KMjfGG |
|---|---|
| InChI | InChI=1S/C10H9ClO2/c1-2-3-10(12)13-9-6-4-8(11)5-7-9/h2,4-7H,1,3H2 |
| InChIKey | ZBDAOOKQPNVNTC-UHFFFAOYSA-N |
| Mol Weight | 196.63 g/mol |
| Molecular Formula | C10H9ClO2 |
| Exact Mass | 196.029107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3NVEHVaq8Q |
|---|---|
| Name | (4-Chlorophenyl) but-3-enoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.029107228 u |
| Formula | C10H9ClO2 |
| InChI | InChI=1S/C10H9ClO2/c1-2-3-10(12)13-9-6-4-8(11)5-7-9/h2,4-7H,1,3H2 |
| InChIKey | ZBDAOOKQPNVNTC-UHFFFAOYSA-N |
| Molecular Weight | 196.633 g/mol |
| SMILES | C(CC=C)(=O)OC=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.824797 |