| SpectraBase Compound ID | BGZe3jD3IoV |
|---|---|
| InChI | InChI=1S/C17H15Br2NO2/c1-2-11-20(16(21)12-7-3-5-9-14(12)18)17(22)13-8-4-6-10-15(13)19/h3-10H,2,11H2,1H3 |
| InChIKey | YBOHFNJJBGOLEY-UHFFFAOYSA-N |
| Mol Weight | 425.12 g/mol |
| Molecular Formula | C17H15Br2NO2 |
| Exact Mass | 422.946955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1bvz447Wm2N |
|---|---|
| Name | Benzamide, 2-bromo-N-(2-bromobenzoyl)-N-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.946954725 u |
| Formula | C17H15Br2NO2 |
| InChI | InChI=1S/C17H15Br2NO2/c1-2-11-20(16(21)12-7-3-5-9-14(12)18)17(22)13-8-4-6-10-15(13)19/h3-10H,2,11H2,1H3 |
| InChIKey | YBOHFNJJBGOLEY-UHFFFAOYSA-N |
| Molecular Weight | 425.120 g/mol |
| SMILES | C1=CC=C(C(=C1)Br)C(N(CCC)C(=O)C1=C(C=CC=C1)Br)=O |