| SpectraBase Compound ID | LYib2sOSpYX |
|---|---|
| InChI | InChI=1S/C17H24F7NO3/c1-2-3-4-5-6-7-11-28-13(26)12-9-8-10-25(12)14(27)15(18,19)16(20,21)17(22,23)24/h12H,2-11H2,1H3 |
| InChIKey | MQGCCDKQWWYMGS-UHFFFAOYSA-N |
| Mol Weight | 423.37 g/mol |
| Molecular Formula | C17H24F7NO3 |
| Exact Mass | 423.164441 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FsKi9YpmqsN |
|---|---|
| Name | L-Proline, N-heptafluorobutyryl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 423.164440775 u |
| Formula | C17H24F7NO3 |
| InChI | InChI=1S/C17H24F7NO3/c1-2-3-4-5-6-7-11-28-13(26)12-9-8-10-25(12)14(27)15(18,19)16(20,21)17(22,23)24/h12H,2-11H2,1H3 |
| InChIKey | MQGCCDKQWWYMGS-UHFFFAOYSA-N |
| Molecular Weight | 423.372 g/mol |
| SMILES | C1CC(C(=O)OCCCCCCCC)N(C1)C(=O)C(C(C(F)(F)F)(F)F)(F)F |