| SpectraBase Compound ID | 70AFsMxh9e9 |
|---|---|
| InChI | InChI=1S/C21H34BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-21(24)19-16-13-14-17-20(19)22/h13-14,16-17H,2-12,15,18H2,1H3,(H,23,24) |
| InChIKey | YZTVOBCSDKHOPB-UHFFFAOYSA-N |
| Mol Weight | 396.4 g/mol |
| Molecular Formula | C21H34BrNO |
| Exact Mass | 395.182378 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LGXVERuRVqf |
|---|---|
| Name | Benzamide, 2-bromo-N-tetradecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 395.182377718 u |
| Formula | C21H34BrNO |
| InChI | InChI=1S/C21H34BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-21(24)19-16-13-14-17-20(19)22/h13-14,16-17H,2-12,15,18H2,1H3,(H,23,24) |
| InChIKey | YZTVOBCSDKHOPB-UHFFFAOYSA-N |
| Molecular Weight | 396.413 g/mol |
| SMILES | C1=C(C(=CC=C1)C(NCCCCCCCCCCCCCC)=O)Br |