| SpectraBase Compound ID | 4v1vlNZ1rvI |
|---|---|
| InChI | InChI=1S/C17H13BrO3/c1-11(19)15(16(20)12-5-3-2-4-6-12)17(21)13-7-9-14(18)10-8-13/h2-10,15H,1H3 |
| InChIKey | QPICHELVLNONFD-UHFFFAOYSA-N |
| Mol Weight | 345.19 g/mol |
| Molecular Formula | C17H13BrO3 |
| Exact Mass | 344.004807 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GTFUN9jyOY9 |
|---|---|
| Name | Butane-1,3-dione, 2-(4-bromobenzoyl)-1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.004807276 u |
| Formula | C17H13BrO3 |
| InChI | InChI=1S/C17H13BrO3/c1-11(19)15(16(20)12-5-3-2-4-6-12)17(21)13-7-9-14(18)10-8-13/h2-10,15H,1H3 |
| InChIKey | QPICHELVLNONFD-UHFFFAOYSA-N |
| Molecular Weight | 345.192 g/mol |
| SMILES | C(C(C1=CC=C(C=C1)Br)=O)(C(=O)C=1C=CC=CC1)C(=O)C |