| SpectraBase Compound ID | KI4PDlac3rE |
|---|---|
| InChI | InChI=1S/C15H18F3NO3/c1-4-22-14(21)12(9(2)3)19-13(20)10-6-5-7-11(8-10)15(16,17)18/h5-9,12H,4H2,1-3H3,(H,19,20) |
| InChIKey | IXDLVGRQBAUEOT-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 | JvbKKeBJbfw |
|---|---|
| Name | L-Valine, N-(3-trifluoromethylbenzoyl)-, ethyl 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/c1-4-22-14(21)12(9(2)3)19-13(20)10-6-5-7-11(8-10)15(16,17)18/h5-9,12H,4H2,1-3H3,(H,19,20) |
| InChIKey | IXDLVGRQBAUEOT-UHFFFAOYSA-N |
| Molecular Weight | 317.308 g/mol |
| SMILES | C1=C(C=CC=C1C(F)(F)F)C(NC(C(C)C)C(=O)OCC)=O |