| SpectraBase Compound ID | B2tJmPPbTsH |
|---|---|
| InChI | InChI=1S/C13H14FNO3/c1-18-13(17)11-7-4-8-15(11)12(16)9-5-2-3-6-10(9)14/h2-3,5-6,11H,4,7-8H2,1H3 |
| InChIKey | YMNDBZPDECAGSK-UHFFFAOYSA-N |
| Mol Weight | 251.26 g/mol |
| Molecular Formula | C13H14FNO3 |
| Exact Mass | 251.095771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bGIYIAIuXY |
|---|---|
| Name | L-Proline, N-(2-fluorobenzoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.095771475 u |
| Formula | C13H14FNO3 |
| InChI | InChI=1S/C13H14FNO3/c1-18-13(17)11-7-4-8-15(11)12(16)9-5-2-3-6-10(9)14/h2-3,5-6,11H,4,7-8H2,1H3 |
| InChIKey | YMNDBZPDECAGSK-UHFFFAOYSA-N |
| Molecular Weight | 251.257 g/mol |
| SMILES | C1=CC=C(C(=C1)F)C(N1CCCC1C(OC)=O)=O |