| SpectraBase Compound ID | GpY9EEcghRI |
|---|---|
| InChI | InChI=1S/C21H34BrNO/c1-3-5-6-7-8-9-10-11-12-17-23(16-4-2)21(24)19-14-13-15-20(22)18-19/h13-15,18H,3-12,16-17H2,1-2H3 |
| InChIKey | MNUIMOJRBZUCSH-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 | JaXvQaLEiO8 |
|---|---|
| Name | Benzamide, 3-bromo-N-propyl-N-undecyl- |
| 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/c1-3-5-6-7-8-9-10-11-12-17-23(16-4-2)21(24)19-14-13-15-20(22)18-19/h13-15,18H,3-12,16-17H2,1-2H3 |
| InChIKey | MNUIMOJRBZUCSH-UHFFFAOYSA-N |
| Molecular Weight | 396.413 g/mol |
| SMILES | C1=C(C=C(C=C1)C(N(CCCCCCCCCCC)CCC)=O)Br |