| SpectraBase Compound ID | ANHSfUK1toj |
|---|---|
| InChI | InChI=1S/C16H22F7NO3/c1-2-3-4-5-6-10-27-12(25)11-8-7-9-24(11)13(26)14(17,18)15(19,20)16(21,22)23/h11H,2-10H2,1H3 |
| InChIKey | WLNLBZHPZDPOMB-UHFFFAOYSA-N |
| Mol Weight | 409.34 g/mol |
| Molecular Formula | C16H22F7NO3 |
| Exact Mass | 409.148791 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KFukofuMYuk |
|---|---|
| Name | L-Proline, N-heptafluorobutyryl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 409.148790710 u |
| Formula | C16H22F7NO3 |
| InChI | InChI=1S/C16H22F7NO3/c1-2-3-4-5-6-10-27-12(25)11-8-7-9-24(11)13(26)14(17,18)15(19,20)16(21,22)23/h11H,2-10H2,1H3 |
| InChIKey | WLNLBZHPZDPOMB-UHFFFAOYSA-N |
| Molecular Weight | 409.345 g/mol |
| SMILES | C1CC(C(=O)OCCCCCCC)N(C1)C(=O)C(C(C(F)(F)F)(F)F)(F)F |