| SpectraBase Compound ID | 8LFzbIIfZsD |
|---|---|
| InChI | InChI=1S/C21H42BrNO/c1-3-5-7-8-9-10-11-12-16-20-23(19-6-4-2)21(24)17-14-13-15-18-22/h3-20H2,1-2H3 |
| InChIKey | UHVMQVHMLIEJBG-UHFFFAOYSA-N |
| Mol Weight | 404.5 g/mol |
| Molecular Formula | C21H42BrNO |
| Exact Mass | 403.244978 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AG4Ng70kXuK |
|---|---|
| Name | Hexanamide, 6-bromo-N-butyl-N-undecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 403.244977975 u |
| Formula | C21H42BrNO |
| InChI | InChI=1S/C21H42BrNO/c1-3-5-7-8-9-10-11-12-16-20-23(19-6-4-2)21(24)17-14-13-15-18-22/h3-20H2,1-2H3 |
| InChIKey | UHVMQVHMLIEJBG-UHFFFAOYSA-N |
| Molecular Weight | 404.477 g/mol |
| SMILES | C(=O)(N(CCCC)CCCCCCCCCCC)CCCCCBr |