| SpectraBase Compound ID | JGN5ol5wtFM |
|---|---|
| InChI | InChI=1S/C12H20F3NO3/c1-2-3-9-19-10(17)7-5-4-6-8-16-11(18)12(13,14)15/h2-9H2,1H3,(H,16,18) |
| InChIKey | AROJEBKPICQYLT-UHFFFAOYSA-N |
| Mol Weight | 283.29 g/mol |
| Molecular Formula | C12H20F3NO3 |
| Exact Mass | 283.139528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LBUOlPWLjbz |
|---|---|
| Name | 6-Aminohexanoic acid, N-trifluoroacetyl-, N-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.139527994 u |
| Formula | C12H20F3NO3 |
| InChI | InChI=1S/C12H20F3NO3/c1-2-3-9-19-10(17)7-5-4-6-8-16-11(18)12(13,14)15/h2-9H2,1H3,(H,16,18) |
| InChIKey | AROJEBKPICQYLT-UHFFFAOYSA-N |
| Molecular Weight | 283.291 g/mol |
| SMILES | CCCCOC(=O)CCCCCNC(C(F)(F)F)=O |