| SpectraBase Compound ID | 1KwqL0RczlO |
|---|---|
| InChI | InChI=1S/C8H7BrO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3 |
| InChIKey | LEXAYGVHWYOOAB-UHFFFAOYSA-N |
| Mol Weight | 215.05 g/mol |
| Molecular Formula | C8H7BrO2 |
| Exact Mass | 213.962942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IswGEt0ROMk |
|---|---|
| Name | Ethanone, 1-(3-bromo-4-hydroxyphenyl)- |
| Comments | Computed using HOSE algorithm |
| 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)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3 |
| InChIKey | LEXAYGVHWYOOAB-UHFFFAOYSA-N |
| Molecular Weight | 215.046 g/mol |
| SMILES | CC(=O)C1=CC(Br)=C(C=C1)O |