| SpectraBase Compound ID | 9WbvwNcfUST |
|---|---|
| InChI | InChI=1S/C11H9F3N2O5/c12-11(13,14)10(19)15-8(9(17)18)5-6-1-3-7(4-2-6)16(20)21/h1-4,8H,5H2,(H,15,19)(H,17,18) |
| InChIKey | QHRNEDXPRFMWSK-UHFFFAOYSA-N |
| Mol Weight | 306.2 g/mol |
| Molecular Formula | C11H9F3N2O5 |
| Exact Mass | 306.046356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LbQZ6OCjZDH |
|---|---|
| Name | Phenylalanine, N-trifluoroacetyl-4-nitro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.046355882 u |
| Formula | C11H9F3N2O5 |
| InChI | InChI=1S/C11H9F3N2O5/c12-11(13,14)10(19)15-8(9(17)18)5-6-1-3-7(4-2-6)16(20)21/h1-4,8H,5H2,(H,15,19)(H,17,18) |
| InChIKey | QHRNEDXPRFMWSK-UHFFFAOYSA-N |
| Molecular Weight | 306.197 g/mol |
| SMILES | C1=CC(=CC=C1N(=O)=O)CC(C(O)=O)NC(=O)C(F)(F)F |