| SpectraBase Compound ID | 6thxbTUY8SE |
|---|---|
| InChI | InChI=1S/C9H10F3N3O3/c1-18-7(16)6(2-5-3-13-4-14-5)15-8(17)9(10,11)12/h3-4,6H,2H2,1H3,(H,13,14)(H,15,17) |
| InChIKey | ZXUKSHUWLOVVCG-UHFFFAOYSA-N |
| Mol Weight | 265.19 g/mol |
| Molecular Formula | C9H10F3N3O3 |
| Exact Mass | 265.067426 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4opgzMosGy3 |
|---|---|
| Name | N-Trifluoroacetyl-histidine, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.067425680 u |
| Formula | C9H10F3N3O3 |
| InChI | InChI=1S/C9H10F3N3O3/c1-18-7(16)6(2-5-3-13-4-14-5)15-8(17)9(10,11)12/h3-4,6H,2H2,1H3,(H,13,14)(H,15,17) |
| InChIKey | ZXUKSHUWLOVVCG-UHFFFAOYSA-N |
| Molecular Weight | 265.192 g/mol |
| SMILES | C=1N=CNC1CC(NC(=O)C(F)(F)F)C(OC)=O |