| SpectraBase Compound ID | C7M9yEk5tm4 |
|---|---|
| InChI | InChI=1S/C17H18F5NO3/c1-2-3-4-8-26-17(25)9-6-5-7-23(9)16(24)10-11(18)13(20)15(22)14(21)12(10)19/h9H,2-8H2,1H3 |
| InChIKey | GEZAMLBYTUNVNU-UHFFFAOYSA-N |
| Mol Weight | 379.33 g/mol |
| Molecular Formula | C17H18F5NO3 |
| Exact Mass | 379.120684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3aFU9hsQvd9 |
|---|---|
| Name | L-Proline, N-(pentafluorobenzoyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.120684256 u |
| Formula | C17H18F5NO3 |
| InChI | InChI=1S/C17H18F5NO3/c1-2-3-4-8-26-17(25)9-6-5-7-23(9)16(24)10-11(18)13(20)15(22)14(21)12(10)19/h9H,2-8H2,1H3 |
| InChIKey | GEZAMLBYTUNVNU-UHFFFAOYSA-N |
| Molecular Weight | 379.327 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)C(N1CCCC1C(OCCCCC)=O)=O |