| SpectraBase Compound ID | C3ZiWcn9XmC |
|---|---|
| InChI | InChI=1S/C16H24BrNO/c1-4-6-12-18(13(3)9-5-2)16(19)14-10-7-8-11-15(14)17/h7-8,10-11,13H,4-6,9,12H2,1-3H3 |
| InChIKey | WGAFHYWAXTWCLI-UHFFFAOYSA-N |
| Mol Weight | 326.28 g/mol |
| Molecular Formula | C16H24BrNO |
| Exact Mass | 325.104127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ble9hjGs7NF |
|---|---|
| Name | Benzamide, 2-bromo-N-(2-pentyl)-N-butyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.104127396 u |
| Formula | C16H24BrNO |
| InChI | InChI=1S/C16H24BrNO/c1-4-6-12-18(13(3)9-5-2)16(19)14-10-7-8-11-15(14)17/h7-8,10-11,13H,4-6,9,12H2,1-3H3 |
| InChIKey | WGAFHYWAXTWCLI-UHFFFAOYSA-N |
| Molecular Weight | 326.278 g/mol |
| SMILES | C(N(C(CCC)C)C(=O)C=1C(Br)=CC=CC1)CCC |