| SpectraBase Compound ID | e9Hr4QEKuM |
|---|---|
| InChI | InChI=1S/C9H7BrO/c1-2-3-7-6-8(11)4-5-9(7)10/h3-6,11H,1H2 |
| InChIKey | MHMDJZPFFGYVGU-UHFFFAOYSA-N |
| Mol Weight | 211.06 g/mol |
| Molecular Formula | C9H7BrO |
| Exact Mass | 209.968028 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4Yro9bSrdei |
|---|---|
| Name | 4-Bromo-3-(propa-1,2-dien-1-yl)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.968027844 u |
| Formula | C9H7BrO |
| InChI | InChI=1S/C9H7BrO/c1-2-3-7-6-8(11)4-5-9(7)10/h3-6,11H,1H2 |
| InChIKey | MHMDJZPFFGYVGU-UHFFFAOYSA-N |
| Molecular Weight | 211.058 g/mol |
| SMILES | C=1(C=C(C(=CC1)Br)C=C=C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876072 |