| SpectraBase Compound ID | 4vtr1zPx33n |
|---|---|
| InChI | InChI=1S/C15H22F5NO3/c1-2-3-4-5-6-10-24-12(22)11-8-7-9-21(11)13(23)14(16,17)15(18,19)20/h11H,2-10H2,1H3 |
| InChIKey | ROJQZZXMWSJHPZ-UHFFFAOYSA-N |
| Mol Weight | 359.34 g/mol |
| Molecular Formula | C15H22F5NO3 |
| Exact Mass | 359.151984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vn5lv7enk1 |
|---|---|
| Name | L-Proline, N-pentafluoropropionyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.151984384 u |
| Formula | C15H22F5NO3 |
| InChI | InChI=1S/C15H22F5NO3/c1-2-3-4-5-6-10-24-12(22)11-8-7-9-21(11)13(23)14(16,17)15(18,19)20/h11H,2-10H2,1H3 |
| InChIKey | ROJQZZXMWSJHPZ-UHFFFAOYSA-N |
| Molecular Weight | 359.337 g/mol |
| SMILES | CCCCCCCOC(C1N(C(C(C(F)(F)F)(F)F)=O)CCC1)=O |