| SpectraBase Compound ID | K9Gcwx5Sk8C |
|---|---|
| InChI | InChI=1S/C16H26F3NO5/c1-3-5-10-24-13(21)9-7-8-12(14(22)25-11-6-4-2)20-15(23)16(17,18)19/h12H,3-11H2,1-2H3,(H,20,23) |
| InChIKey | NPYXALIPFYRYAQ-UHFFFAOYSA-N |
| Mol Weight | 369.38 g/mol |
| Molecular Formula | C16H26F3NO5 |
| Exact Mass | 369.176307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AdEWWBVVGQ4 |
|---|---|
| Name | 2-Aminoadipic acid, N-trifluoroacetyl-, di-N-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 369.176307425 u |
| Formula | C16H26F3NO5 |
| InChI | InChI=1S/C16H26F3NO5/c1-3-5-10-24-13(21)9-7-8-12(14(22)25-11-6-4-2)20-15(23)16(17,18)19/h12H,3-11H2,1-2H3,(H,20,23) |
| InChIKey | NPYXALIPFYRYAQ-UHFFFAOYSA-N |
| Molecular Weight | 369.381 g/mol |
| SMILES | CCCCOC(CCCC(NC(C(F)(F)F)=O)C(OCCCC)=O)=O |