| SpectraBase Compound ID | JMZaNP83q0a |
|---|---|
| InChI | InChI=1S/C17H19F3N2O4/c1-16(2,3)26-15(25)22-12(14(23)24)8-10-9-6-4-5-7-11(9)21-13(10)17(18,19)20/h4-7,12,21H,8H2,1-3H3,(H,22,25)(H,23,24) |
| InChIKey | QQDUHAYTVWTECC-UHFFFAOYSA-N |
| Mol Weight | 372.34 g/mol |
| Molecular Formula | C17H19F3N2O4 |
| Exact Mass | 372.129692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HST9Q62YbPX |
|---|---|
| Name | N-boc-2-Trifluoromethyltryptophan |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.129691585 u |
| Formula | C17H19F3N2O4 |
| InChI | InChI=1S/C17H19F3N2O4/c1-16(2,3)26-15(25)22-12(14(23)24)8-10-9-6-4-5-7-11(9)21-13(10)17(18,19)20/h4-7,12,21H,8H2,1-3H3,(H,22,25)(H,23,24) |
| InChIKey | QQDUHAYTVWTECC-UHFFFAOYSA-N |
| Molecular Weight | 372.344 g/mol |
| SMILES | C12=C(C=CC=C2)C(CC(C(O)=O)NC(=O)OC(C)(C)C)=C(N1)C(F)(F)F |