| SpectraBase Compound ID | KHlnTBb3Cun |
|---|---|
| InChI | InChI=1S/C18H28BrNO/c1-4-7-9-15(6-3)14-20(12-5-2)18(21)16-10-8-11-17(19)13-16/h8,10-11,13,15H,4-7,9,12,14H2,1-3H3 |
| InChIKey | DGFQYUVAPKEIOY-UHFFFAOYSA-N |
| Mol Weight | 354.33 g/mol |
| Molecular Formula | C18H28BrNO |
| Exact Mass | 353.135428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hc7t4ukNzJw |
|---|---|
| Name | Benzamide, 3-bromo-N-propyl-N-(2-ethylhexyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.135427525 u |
| Formula | C18H28BrNO |
| InChI | InChI=1S/C18H28BrNO/c1-4-7-9-15(6-3)14-20(12-5-2)18(21)16-10-8-11-17(19)13-16/h8,10-11,13,15H,4-7,9,12,14H2,1-3H3 |
| InChIKey | DGFQYUVAPKEIOY-UHFFFAOYSA-N |
| Molecular Weight | 354.332 g/mol |
| SMILES | C1=C(C=C(C=C1)C(N(CC(CCCC)CC)CCC)=O)Br |