| SpectraBase Compound ID | Bq8eqAtIl01 |
|---|---|
| InChI | InChI=1S/C10H11BrO/c1-8(12)10-4-2-9(3-5-10)6-7-11/h2-5H,6-7H2,1H3 |
| InChIKey | SCBYPRYCSIVASE-UHFFFAOYSA-N |
| Mol Weight | 227.1 g/mol |
| Molecular Formula | C10H11BrO |
| Exact Mass | 225.999328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EISHfZKkBrQ |
|---|---|
| Name | 4'-(2-Bromoethyl)acetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.999327973 u |
| Formula | C10H11BrO |
| InChI | InChI=1S/C10H11BrO/c1-8(12)10-4-2-9(3-5-10)6-7-11/h2-5H,6-7H2,1H3 |
| InChIKey | SCBYPRYCSIVASE-UHFFFAOYSA-N |
| Molecular Weight | 227.101 g/mol |
| SMILES | C(=O)(C1=CC=C(C=C1)CCBr)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931669 |