| SpectraBase Compound ID | 77Zk3mP392r |
|---|---|
| InChI | InChI=1S/C15H12BrNO2/c1-10(18)11-4-8-14(9-5-11)17-15(19)12-2-6-13(16)7-3-12/h2-9H,1H3,(H,17,19) |
| InChIKey | QGQIZTUSZYYDLU-UHFFFAOYSA-N |
| Mol Weight | 318.17 g/mol |
| Molecular Formula | C15H12BrNO2 |
| Exact Mass | 317.005142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EcsaiH0NzR2 |
|---|---|
| Name | Benzamide, 4-bromo-N-(4-acetylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.005141628 u |
| Formula | C15H12BrNO2 |
| InChI | InChI=1S/C15H12BrNO2/c1-10(18)11-4-8-14(9-5-11)17-15(19)12-2-6-13(16)7-3-12/h2-9H,1H3,(H,17,19) |
| InChIKey | QGQIZTUSZYYDLU-UHFFFAOYSA-N |
| Molecular Weight | 318.170 g/mol |
| SMILES | C1=C(C=CC(=C1)NC(=O)C1=CC=C(C=C1)Br)C(C)=O |