| SpectraBase Compound ID | 8UEtrfuoOrU |
|---|---|
| InChI | InChI=1S/C8H7BrO2/c1-5(10)7-4-6(11)2-3-8(7)9/h2-4,11H,1H3 |
| InChIKey | ZZCFCXHCWBGEDV-UHFFFAOYSA-N |
| Mol Weight | 215.05 g/mol |
| Molecular Formula | C8H7BrO2 |
| Exact Mass | 213.962942 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9NMNpW4Vt1c |
|---|---|
| Name | 3-Acetyl 4-bromophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.962942463 u |
| Formula | C8H7BrO2 |
| InChI | InChI=1S/C8H7BrO2/c1-5(10)7-4-6(11)2-3-8(7)9/h2-4,11H,1H3 |
| InChIKey | ZZCFCXHCWBGEDV-UHFFFAOYSA-N |
| Molecular Weight | 215.046 g/mol |
| SMILES | C1(C(=O)C)=C(C=CC(=C1)O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960817 |