| SpectraBase Compound ID | 2Z2VSxS48PJ |
|---|---|
| InChI | InChI=1S/C14H18F7NO3/c1-2-3-4-8-25-10(23)9-6-5-7-22(9)11(24)12(15,16)13(17,18)14(19,20)21/h9H,2-8H2,1H3 |
| InChIKey | ZCUBABLTMDYRGX-UHFFFAOYSA-N |
| Mol Weight | 381.29 g/mol |
| Molecular Formula | C14H18F7NO3 |
| Exact Mass | 381.117491 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9wnsUVCW1WM |
|---|---|
| Name | L-Proline, N-heptafluorobutyryl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.117490582 u |
| Formula | C14H18F7NO3 |
| InChI | InChI=1S/C14H18F7NO3/c1-2-3-4-8-25-10(23)9-6-5-7-22(9)11(24)12(15,16)13(17,18)14(19,20)21/h9H,2-8H2,1H3 |
| InChIKey | ZCUBABLTMDYRGX-UHFFFAOYSA-N |
| Molecular Weight | 381.291 g/mol |
| SMILES | C1CC(C(=O)OCCCCC)N(C1)C(=O)C(C(C(F)(F)F)(F)F)(F)F |