| SpectraBase Compound ID | 3gncC9CbLbJ |
|---|---|
| InChI | InChI=1S/C20H21F7N2O3/c1-11(2)7-8-32-16(30)15(9-12-10-28-14-6-4-3-5-13(12)14)29-17(31)18(21,22)19(23,24)20(25,26)27/h3-6,10-11,15,28H,7-9H2,1-2H3,(H,29,31) |
| InChIKey | SFNDXADQGWYURB-UHFFFAOYSA-N |
| Mol Weight | 470.39 g/mol |
| Molecular Formula | C20H21F7N2O3 |
| Exact Mass | 470.14404 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3b2VHlLFwHB |
|---|---|
| Name | 3-Methylbutyl N-heptafluorobutyryltryptophanate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.144039682 u |
| Formula | C20H21F7N2O3 |
| InChI | InChI=1S/C20H21F7N2O3/c1-11(2)7-8-32-16(30)15(9-12-10-28-14-6-4-3-5-13(12)14)29-17(31)18(21,22)19(23,24)20(25,26)27/h3-6,10-11,15,28H,7-9H2,1-2H3,(H,29,31) |
| InChIKey | SFNDXADQGWYURB-UHFFFAOYSA-N |
| Molecular Weight | 470.388 g/mol |
| SMILES | C1=CC=C2C(=C1)NC=C2CC(NC(=O)C(C(F)(F)C(F)(F)F)(F)F)C(OCCC(C)C)=O |