| SpectraBase Compound ID | 7YmqRx15pCc |
|---|---|
| InChI | InChI=1S/C17H18BrNO/c1-2-12-19(13-14-8-4-3-5-9-14)17(20)15-10-6-7-11-16(15)18/h3-11H,2,12-13H2,1H3 |
| InChIKey | UUTVCRLZKDRGJF-UHFFFAOYSA-N |
| Mol Weight | 332.24 g/mol |
| Molecular Formula | C17H18BrNO |
| Exact Mass | 331.057177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JxkdBeK6XwT |
|---|---|
| Name | Benzamide, 2-bromo-N-benzyl-N-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.057177203 u |
| Formula | C17H18BrNO |
| InChI | InChI=1S/C17H18BrNO/c1-2-12-19(13-14-8-4-3-5-9-14)17(20)15-10-6-7-11-16(15)18/h3-11H,2,12-13H2,1H3 |
| InChIKey | UUTVCRLZKDRGJF-UHFFFAOYSA-N |
| Molecular Weight | 332.241 g/mol |
| SMILES | C(N(CCC)CC1=CC=CC=C1)(=O)C=1C(Br)=CC=CC1 |