| SpectraBase Compound ID | nSP8gCEvme |
|---|---|
| InChI | InChI=1S/C13H13F3N2O2/c1-20-12(19)9(17)6-8-7-4-2-3-5-10(7)18-11(8)13(14,15)16/h2-5,9,18H,6,17H2,1H3 |
| InChIKey | YGGVITCUKWZDND-UHFFFAOYSA-N |
| Mol Weight | 286.25 g/mol |
| Molecular Formula | C13H13F3N2O2 |
| Exact Mass | 286.092912 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8aSgHWRSRyg |
|---|---|
| Name | Methyl-alpha-amino-2-trifluoromethyl-indole-3-propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.092912154 u |
| Formula | C13H13F3N2O2 |
| InChI | InChI=1S/C13H13F3N2O2/c1-20-12(19)9(17)6-8-7-4-2-3-5-10(7)18-11(8)13(14,15)16/h2-5,9,18H,6,17H2,1H3 |
| InChIKey | YGGVITCUKWZDND-UHFFFAOYSA-N |
| Molecular Weight | 286.254 g/mol |
| SMILES | C=1(NC2=CC=CC=C2C1CC(N)C(=O)OC)C(F)(F)F |