| SpectraBase Compound ID | CROb2AwNJZw |
|---|---|
| InChI | InChI=1S/C10H9BrO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h2-6H,1,7H2 |
| InChIKey | JGBCXOZVMIKZCR-UHFFFAOYSA-N |
| Mol Weight | 241.08 g/mol |
| Molecular Formula | C10H9BrO2 |
| Exact Mass | 239.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6Sr2kTl0dYd |
|---|---|
| Name | 4-Bromobenzoic acid, 2-propenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.978592528 u |
| Formula | C10H9BrO2 |
| InChI | InChI=1S/C10H9BrO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h2-6H,1,7H2 |
| InChIKey | JGBCXOZVMIKZCR-UHFFFAOYSA-N |
| Molecular Weight | 241.084 g/mol |
| SMILES | C1=C(Br)C=CC(=C1)C(OCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887535 |