| SpectraBase Compound ID | JqRxsYJbbVc |
|---|---|
| InChI | InChI=1S/C12H16BrNO/c1-3-9-14(4-2)12(15)10-7-5-6-8-11(10)13/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | BMRXZVFZTFOTLI-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 | IZQoWEwxyW2 |
|---|---|
| Name | Benzamide, 2-bromo-N-ethyl-N-propyl- |
| 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/c1-3-9-14(4-2)12(15)10-7-5-6-8-11(10)13/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | BMRXZVFZTFOTLI-UHFFFAOYSA-N |
| Molecular Weight | 270.170 g/mol |
| SMILES | C1=C(C(=CC=C1)C(N(CC)CCC)=O)Br |