| SpectraBase Compound ID | 5lq9nIXr9BF |
|---|---|
| InChI | InChI=1S/C16H18F3NO3/c1-2-10-23-15(22)13-8-5-9-20(13)14(21)11-6-3-4-7-12(11)16(17,18)19/h3-4,6-7,13H,2,5,8-10H2,1H3 |
| InChIKey | RQUDXAYZEINQED-UHFFFAOYSA-N |
| Mol Weight | 329.32 g/mol |
| Molecular Formula | C16H18F3NO3 |
| Exact Mass | 329.123878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CoW5Vxa5kwS |
|---|---|
| Name | L-Proline, N-(2-trifluoromethylbenzoyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.123877930 u |
| Formula | C16H18F3NO3 |
| InChI | InChI=1S/C16H18F3NO3/c1-2-10-23-15(22)13-8-5-9-20(13)14(21)11-6-3-4-7-12(11)16(17,18)19/h3-4,6-7,13H,2,5,8-10H2,1H3 |
| InChIKey | RQUDXAYZEINQED-UHFFFAOYSA-N |
| Molecular Weight | 329.319 g/mol |
| SMILES | C1(=C(C=CC=C1)C(N1CCCC1C(OCCC)=O)=O)C(F)(F)F |