| SpectraBase Compound ID | B64OSagpDON |
|---|---|
| InChI | InChI=1S/C10H9ClO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h2-6H,1,7H2 |
| InChIKey | BFQCHDDTURWEGT-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 | J0hs2UL8nvw |
|---|---|
| Name | 4-Chlorobenzoic acid, 2-propenyl ester |
| 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/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h2-6H,1,7H2 |
| InChIKey | BFQCHDDTURWEGT-UHFFFAOYSA-N |
| Molecular Weight | 196.633 g/mol |
| SMILES | C1=C(Cl)C=CC(=C1)C(=O)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907446 |