![5-oxo-1-[3-(Trifluoromethyl)phenyl]-3-pyrrolidinecarboxylic acid](/api/spectrum/D0ZoH4hxwOB/structure.png?h=300&w=458 "5-oxo-1-[3-(Trifluoromethyl)phenyl]-3-pyrrolidinecarboxylic acid")
| SpectraBase Compound ID | 3CdhjRCeYr8 |
|---|---|
| InChI | InChI=1S/C12H10F3NO3/c13-12(14,15)8-2-1-3-9(5-8)16-6-7(11(18)19)4-10(16)17/h1-3,5,7H,4,6H2,(H,18,19) |
| InChIKey | LCRHVZDPBWDWSX-UHFFFAOYSA-N |
| Mol Weight | 273.21 g/mol |
| Molecular Formula | C12H10F3NO3 |
| Exact Mass | 273.061278 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D0ZoH4hxwOB |
|---|---|
| Name | 5-oxo-1-[3-(Trifluoromethyl)phenyl]-3-pyrrolidinecarboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.061277672 u |
| Formula | C12H10F3NO3 |
| InChI | InChI=1S/C12H10F3NO3/c13-12(14,15)8-2-1-3-9(5-8)16-6-7(11(18)19)4-10(16)17/h1-3,5,7H,4,6H2,(H,18,19) |
| InChIKey | LCRHVZDPBWDWSX-UHFFFAOYSA-N |
| Molecular Weight | 273.211 g/mol |
| SMILES | C(F)(F)(F)C1=CC(=CC=C1)N1CC(CC1=O)C(=O)O |