| SpectraBase Compound ID | B2dJbmnAjXA |
|---|---|
| InChI | InChI=1S/C22H36BrNO/c1-3-5-7-8-9-10-11-12-15-19-24(18-6-4-2)22(25)20-16-13-14-17-21(20)23/h13-14,16-17H,3-12,15,18-19H2,1-2H3 |
| InChIKey | HXXIMBSHXLQATG-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 | 9TmQMq46Lab |
|---|---|
| Name | Benzamide, 2-bromo-N-butyl-N-undecyl- |
| 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/c1-3-5-7-8-9-10-11-12-15-19-24(18-6-4-2)22(25)20-16-13-14-17-21(20)23/h13-14,16-17H,3-12,15,18-19H2,1-2H3 |
| InChIKey | HXXIMBSHXLQATG-UHFFFAOYSA-N |
| Molecular Weight | 410.440 g/mol |
| SMILES | C(=O)(N(CCCC)CCCCCCCCCCC)C=1C=CC=CC1Br |