| SpectraBase Compound ID | JUE9qoOcMsV |
|---|---|
| InChI | InChI=1S/C21H34BrNO/c1-3-5-7-9-11-16-23(17-12-10-8-6-4-2)21(24)19-14-13-15-20(22)18-19/h13-15,18H,3-12,16-17H2,1-2H3 |
| InChIKey | TXRYYWOQIWGWTC-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 | 8lU4dYnL4Uj |
|---|---|
| Name | Benzamide, N,N-diheptyl-3-bromo- |
| 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/c1-3-5-7-9-11-16-23(17-12-10-8-6-4-2)21(24)19-14-13-15-20(22)18-19/h13-15,18H,3-12,16-17H2,1-2H3 |
| InChIKey | TXRYYWOQIWGWTC-UHFFFAOYSA-N |
| Molecular Weight | 396.413 g/mol |
| SMILES | C1(=CC=CC(=C1)C(N(CCCCCCC)CCCCCCC)=O)Br |