| SpectraBase Compound ID | 1YqsCExfA2M |
|---|---|
| InChI | InChI=1S/C16H24BrNO/c1-4-6-8-13(5-2)12-18(3)16(19)14-9-7-10-15(17)11-14/h7,9-11,13H,4-6,8,12H2,1-3H3 |
| InChIKey | JSJVNHJUIIHPIO-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 | 8PeTfySGQIQ |
|---|---|
| Name | Benzamide, 3-bromo-N-methyl-N-(2-ethylhexyl)- |
| 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/c1-4-6-8-13(5-2)12-18(3)16(19)14-9-7-10-15(17)11-14/h7,9-11,13H,4-6,8,12H2,1-3H3 |
| InChIKey | JSJVNHJUIIHPIO-UHFFFAOYSA-N |
| Molecular Weight | 326.278 g/mol |
| SMILES | C(=O)(N(CC(CCCC)CC)C)C=1C=CC=C(Br)C1 |