| SpectraBase Compound ID | JmAW3qEMnYX |
|---|---|
| InChI | InChI=1S/C10H11BrO2/c11-8-4-7-10(12)13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
| InChIKey | HFEKLFKZHFTHOD-UHFFFAOYSA-N |
| Mol Weight | 243.1 g/mol |
| Molecular Formula | C10H11BrO2 |
| Exact Mass | 241.994243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IuQ4Q81TD8B |
|---|---|
| Name | 4-Bromobutanoic acid, phenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.994242592 u |
| Formula | C10H11BrO2 |
| InChI | InChI=1S/C10H11BrO2/c11-8-4-7-10(12)13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
| InChIKey | HFEKLFKZHFTHOD-UHFFFAOYSA-N |
| Molecular Weight | 243.100 g/mol |
| SMILES | C(Br)CCC(=O)OC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.837938 |