| SpectraBase Compound ID | 9Bjuvi11IuN |
|---|---|
| InChI | InChI=1S/C15H18F3NO3/c1-3-9-19(14(21)15(16,17)18)12(13(20)22-2)10-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3 |
| InChIKey | VPXKSQQTTYYYGS-UHFFFAOYSA-N |
| Mol Weight | 317.31 g/mol |
| Molecular Formula | C15H18F3NO3 |
| Exact Mass | 317.123878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4WQTp5aZ1BY |
|---|---|
| Name | N-Propyl-N-trifluoroacetyl-L-phenylalanine, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.123877930 u |
| Formula | C15H18F3NO3 |
| InChI | InChI=1S/C15H18F3NO3/c1-3-9-19(14(21)15(16,17)18)12(13(20)22-2)10-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3 |
| InChIKey | VPXKSQQTTYYYGS-UHFFFAOYSA-N |
| Molecular Weight | 317.308 g/mol |
| SMILES | C1(=CC=CC=C1)CC(C(OC)=O)N(C(=O)C(F)(F)F)CCC |