| SpectraBase Compound ID | 8PWbA8MFHbS |
|---|---|
| InChI | InChI=1S/C9H9BrO/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-9H,6H2 |
| InChIKey | CBGMFGUNEQKSGF-UHFFFAOYSA-N |
| Mol Weight | 213.07 g/mol |
| Molecular Formula | C9H9BrO |
| Exact Mass | 211.983678 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7qkDpdEH1kk |
|---|---|
| Name | Oxirane, 2-(bromomethyl)-3-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.983677909 u |
| Formula | C9H9BrO |
| InChI | InChI=1S/C9H9BrO/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-9H,6H2 |
| InChIKey | CBGMFGUNEQKSGF-UHFFFAOYSA-N |
| Molecular Weight | 213.074 g/mol |
| SMILES | C1=C(C=CC=C1)C1C(CBr)O1 |
| Spectrum/Structure Validation Score (Raman) | 0.990586 |