| SpectraBase Compound ID | C5FMFqUQzo8 |
|---|---|
| InChI | InChI=1S/C21H42BrNO/c1-5-9-13-19(7-3)17-23(21(24)15-11-12-16-22)18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3 |
| InChIKey | LUNGCQXCRGMSAN-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 | LPXQJRK9KVG |
|---|---|
| Name | Pentanamide, N,N-bis(2-ethylhexyl)-5-bromo- |
| 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/c1-5-9-13-19(7-3)17-23(21(24)15-11-12-16-22)18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3 |
| InChIKey | LUNGCQXCRGMSAN-UHFFFAOYSA-N |
| Molecular Weight | 404.477 g/mol |
| SMILES | CCCCC(CN(C(CCCCBr)=O)CC(CCCC)CC)CC |