| SpectraBase Compound ID | 7AoX2nntdmw |
|---|---|
| InChI | InChI=1S/C12H13BrO2/c13-8-4-7-11(14)9-12(15)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2 |
| InChIKey | DVPMUBIALZZRKY-UHFFFAOYSA-N |
| Mol Weight | 269.14 g/mol |
| Molecular Formula | C12H13BrO2 |
| Exact Mass | 268.009893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 355izsFrSf2 |
|---|---|
| Name | 6-Bromo-1-phenylhexane-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.009892657 u |
| Formula | C12H13BrO2 |
| InChI | InChI=1S/C12H13BrO2/c13-8-4-7-11(14)9-12(15)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2 |
| InChIKey | DVPMUBIALZZRKY-UHFFFAOYSA-N |
| SMILES | C(CC(CCCBr)=O)(=O)C=1C=CC=CC1 |