| SpectraBase Compound ID | JS8Z1kbiOWB |
|---|---|
| InChI | InChI=1S/C21H34BrNO/c1-3-4-5-6-7-8-9-13-17-23(21(24)19(2)22)18-16-20-14-11-10-12-15-20/h10-12,14-15,19H,3-9,13,16-18H2,1-2H3 |
| InChIKey | TVKRDGOKHRNTTJ-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 | 5N9GnPxfnHM |
|---|---|
| Name | Propanamide, 2-bromo-N-(2-phenylethyl)-N-decyl- |
| 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/c1-3-4-5-6-7-8-9-13-17-23(21(24)19(2)22)18-16-20-14-11-10-12-15-20/h10-12,14-15,19H,3-9,13,16-18H2,1-2H3 |
| InChIKey | TVKRDGOKHRNTTJ-UHFFFAOYSA-N |
| Molecular Weight | 396.413 g/mol |
| SMILES | C1=CC=CC(=C1)CCN(C(=O)C(Br)C)CCCCCCCCCC |