| SpectraBase Compound ID | 9oD2BExHmBc |
|---|---|
| InChI | InChI=1S/C15H18F3NO3/c1-10(2)12(13(20)22-3)19(14(21)15(16,17)18)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3 |
| InChIKey | WONKDGRSRMGULU-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 | FVAgMbeswwL |
|---|---|
| Name | L-Valine, N-benzyl-N-trifluoroacetyl, 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/c1-10(2)12(13(20)22-3)19(14(21)15(16,17)18)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3 |
| InChIKey | WONKDGRSRMGULU-UHFFFAOYSA-N |
| Molecular Weight | 317.308 g/mol |
| SMILES | C1(=CC=CC=C1)CN(C(C(C)C)C(=O)OC)C(C(F)(F)F)=O |