| SpectraBase Compound ID | 71rYtWffP9W |
|---|---|
| InChI | InChI=1S/C22H36BrNO/c1-3-5-7-9-11-13-18-24(17-12-10-8-6-4-2)22(25)20-15-14-16-21(23)19-20/h14-16,19H,3-13,17-18H2,1-2H3 |
| InChIKey | RPMOQVIHJDQPPK-UHFFFAOYSA-N |
| Mol Weight | 410.4 g/mol |
| Molecular Formula | C22H36BrNO |
| Exact Mass | 409.198028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DviTysUxY1c |
|---|---|
| Name | Benzamide, N-heptyl-N-octyl-3-bromo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 409.198027782 u |
| Formula | C22H36BrNO |
| InChI | InChI=1S/C22H36BrNO/c1-3-5-7-9-11-13-18-24(17-12-10-8-6-4-2)22(25)20-15-14-16-21(23)19-20/h14-16,19H,3-13,17-18H2,1-2H3 |
| InChIKey | RPMOQVIHJDQPPK-UHFFFAOYSA-N |
| Molecular Weight | 410.440 g/mol |
| SMILES | C1(=CC=CC(=C1)C(N(CCCCCCC)CCCCCCCC)=O)Br |