| SpectraBase Compound ID | 3dCVfKddCAG |
|---|---|
| InChI | InChI=1S/C25H42BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-25(28)23-19-18-20-24(26)22-23/h18-20,22H,2-17,21H2,1H3,(H,27,28) |
| InChIKey | UAEFEKPSYMWCKE-UHFFFAOYSA-N |
| Mol Weight | 452.5 g/mol |
| Molecular Formula | C25H42BrNO |
| Exact Mass | 451.244978 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GVYdU1a4bIj |
|---|---|
| Name | Benzamide, 3-bromo-N-octadecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 451.244977975 u |
| Formula | C25H42BrNO |
| InChI | InChI=1S/C25H42BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-25(28)23-19-18-20-24(26)22-23/h18-20,22H,2-17,21H2,1H3,(H,27,28) |
| InChIKey | UAEFEKPSYMWCKE-UHFFFAOYSA-N |
| Molecular Weight | 452.521 g/mol |
| SMILES | C(NCCCCCCCCCCCCCCCCCC)(=O)C=1C=CC=C(Br)C1 |