| SpectraBase Compound ID | 822KnKOdium |
|---|---|
| InChI | InChI=1S/C18H28BrNO/c1-3-5-7-8-9-14-20(13-6-4-2)18(21)16-11-10-12-17(19)15-16/h10-12,15H,3-9,13-14H2,1-2H3 |
| InChIKey | MLVAANVTOALHJM-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 | Egwe25Sjes0 |
|---|---|
| Name | Benzamide, 3-bromo-N-butyl-N-heptyl- |
| 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/c1-3-5-7-8-9-14-20(13-6-4-2)18(21)16-11-10-12-17(19)15-16/h10-12,15H,3-9,13-14H2,1-2H3 |
| InChIKey | MLVAANVTOALHJM-UHFFFAOYSA-N |
| Molecular Weight | 354.332 g/mol |
| SMILES | C1=C(C=CC=C1Br)C(N(CCCCCCC)CCCC)=O |