| SpectraBase Compound ID | CCuMu9z8W3E |
|---|---|
| InChI | InChI=1S/C16H18F3NO3/c1-2-9-23-15(22)13-7-4-8-20(13)14(21)11-5-3-6-12(10-11)16(17,18)19/h3,5-6,10,13H,2,4,7-9H2,1H3 |
| InChIKey | VANPHCBBFYWCEQ-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 | 5UZO9xu5GIv |
|---|---|
| Name | L-Proline, N-(3-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/c1-2-9-23-15(22)13-7-4-8-20(13)14(21)11-5-3-6-12(10-11)16(17,18)19/h3,5-6,10,13H,2,4,7-9H2,1H3 |
| InChIKey | VANPHCBBFYWCEQ-UHFFFAOYSA-N |
| Molecular Weight | 329.319 g/mol |
| SMILES | C1(=CC=CC(=C1)C(N1CCCC1C(OCCC)=O)=O)C(F)(F)F |