| SpectraBase Compound ID | IHWe2MMweXa |
|---|---|
| InChI | InChI=1S/C9H9BrO/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6,9,11H,1H2 |
| InChIKey | DNFHNWHADKQZCE-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 | AR72sfB6Uac |
|---|---|
| Name | Benzenemethanol, 4-bromo-alpha-ethenyl- |
| 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/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6,9,11H,1H2 |
| InChIKey | DNFHNWHADKQZCE-UHFFFAOYSA-N |
| Molecular Weight | 213.074 g/mol |
| SMILES | OC(C1=CC=C(C=C1)Br)C=C |
| Spectrum/Structure Validation Score (Raman) | 0.954305 |