| SpectraBase Compound ID | BMglXp3kfME |
|---|---|
| InChI | InChI=1S/C22H44BrNO/c1-3-5-7-9-11-16-20-24(21-17-12-10-8-6-4-2)22(25)18-14-13-15-19-23/h3-21H2,1-2H3 |
| InChIKey | WFGNURHFUXIZTC-UHFFFAOYSA-N |
| Mol Weight | 418.5 g/mol |
| Molecular Formula | C22H44BrNO |
| Exact Mass | 417.260628 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IYa5uLFUvYK |
|---|---|
| Name | Hexanamide, N,N-dioctyl-6-bromo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 417.260628040 u |
| Formula | C22H44BrNO |
| InChI | InChI=1S/C22H44BrNO/c1-3-5-7-9-11-16-20-24(21-17-12-10-8-6-4-2)22(25)18-14-13-15-19-23/h3-21H2,1-2H3 |
| InChIKey | WFGNURHFUXIZTC-UHFFFAOYSA-N |
| Molecular Weight | 418.504 g/mol |
| SMILES | CCCCCCCCN(C(CCCCCBr)=O)CCCCCCCC |