| SpectraBase Compound ID | Aa0usrAlqHp |
|---|---|
| InChI | InChI=1S/C10H9BrO3/c1-6(12)4-10(14)8-5-7(11)2-3-9(8)13/h2-3,5,13H,4H2,1H3 |
| InChIKey | GCPQDUDCTCGTCZ-UHFFFAOYSA-N |
| Mol Weight | 257.08 g/mol |
| Molecular Formula | C10H9BrO3 |
| Exact Mass | 255.973507 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Er7xTRciEE |
|---|---|
| Name | 1-(5-Bromo-2-hydroxyphenyl)-1,3-butanedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.973507147 u |
| Formula | C10H9BrO3 |
| InChI | InChI=1S/C10H9BrO3/c1-6(12)4-10(14)8-5-7(11)2-3-9(8)13/h2-3,5,13H,4H2,1H3 |
| InChIKey | GCPQDUDCTCGTCZ-UHFFFAOYSA-N |
| Molecular Weight | 257.083 g/mol |
| SMILES | C1(Br)=CC=C(C(=C1)C(CC(C)=O)=O)O |