| SpectraBase Compound ID | KjQpta2z6wJ |
|---|---|
| InChI | InChI=1S/C12H16BrNO/c1-4-9(2)14(3)12(15)10-6-5-7-11(13)8-10/h5-9H,4H2,1-3H3 |
| InChIKey | WEVYJSHDEBDPLW-UHFFFAOYSA-N |
| Mol Weight | 270.17 g/mol |
| Molecular Formula | C12H16BrNO |
| Exact Mass | 269.041527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LbKgIhNYK51 |
|---|---|
| Name | Benzamide, 3-bromo-N-(2-butyl)-N-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.041527138 u |
| Formula | C12H16BrNO |
| InChI | InChI=1S/C12H16BrNO/c1-4-9(2)14(3)12(15)10-6-5-7-11(13)8-10/h5-9H,4H2,1-3H3 |
| InChIKey | WEVYJSHDEBDPLW-UHFFFAOYSA-N |
| Molecular Weight | 270.170 g/mol |
| SMILES | C1=CC=C(C=C1C(N(C)C(CC)C)=O)Br |