| SpectraBase Compound ID | mU15iaPe5B |
|---|---|
| InChI | InChI=1S/C11H13BrO2/c1-9(12)11(13)14-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3 |
| InChIKey | HDTKBTHJTMZYGF-UHFFFAOYSA-N |
| Mol Weight | 257.13 g/mol |
| Molecular Formula | C11H13BrO2 |
| Exact Mass | 256.009893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1WFdI1rnbrs |
|---|---|
| Name | 2-Bromopropionic acid, 2-phenylethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.009892657 u |
| Formula | C11H13BrO2 |
| InChI | InChI=1S/C11H13BrO2/c1-9(12)11(13)14-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3 |
| InChIKey | HDTKBTHJTMZYGF-UHFFFAOYSA-N |
| Molecular Weight | 257.127 g/mol |
| SMILES | C1=CC=CC=C1CCOC(C(C)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970544 |