| SpectraBase Compound ID | CAnl4eLr2yD |
|---|---|
| InChI | InChI=1S/C10H11BrO2/c11-8-10(12)13-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2 |
| InChIKey | MUBFUWFWNPJZSC-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 | 7rXGA4eqy6G |
|---|---|
| Name | Bromoacetic acid, 2-phenylethyl 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/c11-8-10(12)13-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2 |
| InChIKey | MUBFUWFWNPJZSC-UHFFFAOYSA-N |
| Molecular Weight | 243.100 g/mol |
| SMILES | C(COC(CBr)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946063 |