| SpectraBase Compound ID | 9s7gaGSXbw |
|---|---|
| InChI | InChI=1S/C11H13BrO2/c12-9-11(13)14-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2 |
| InChIKey | WKNISXRVXGGHAM-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 | BXOJzOCQnJD |
|---|---|
| Name | Bromoacetic acid, 3-phenylpropyl 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/c12-9-11(13)14-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2 |
| InChIKey | WKNISXRVXGGHAM-UHFFFAOYSA-N |
| Molecular Weight | 257.127 g/mol |
| SMILES | C1(=CC=CC=C1)CCCOC(CBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889762 |