| SpectraBase Compound ID | A5faKhvfgrp |
|---|---|
| InChI | InChI=1S/C15H16F3NO3/c1-2-22-14(21)12-7-4-8-19(12)13(20)10-5-3-6-11(9-10)15(16,17)18/h3,5-6,9,12H,2,4,7-8H2,1H3 |
| InChIKey | VJKQLLWCMBURKE-UHFFFAOYSA-N |
| Mol Weight | 315.29 g/mol |
| Molecular Formula | C15H16F3NO3 |
| Exact Mass | 315.108228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DEfeyiNXpkM |
|---|---|
| Name | L-Proline, N-(3-trifluoromethylbenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.108227865 u |
| Formula | C15H16F3NO3 |
| InChI | InChI=1S/C15H16F3NO3/c1-2-22-14(21)12-7-4-8-19(12)13(20)10-5-3-6-11(9-10)15(16,17)18/h3,5-6,9,12H,2,4,7-8H2,1H3 |
| InChIKey | VJKQLLWCMBURKE-UHFFFAOYSA-N |
| Molecular Weight | 315.292 g/mol |
| SMILES | C(N1CCCC1C(=O)OCC)(=O)C1=CC(C(F)(F)F)=CC=C1 |