| SpectraBase Compound ID | KcYzUCaweDe |
|---|---|
| InChI | InChI=1S/C12H14F7NO2/c1-20-6-2-3-7(20)5-8(4-6)22-9(21)10(13,14)11(15,16)12(17,18)19/h6-8H,2-5H2,1H3/t6-,7+,8+ |
| InChIKey | HPUURXJBHKUNTM-JIGDXULJSA-N |
| Mol Weight | 337.24 g/mol |
| Molecular Formula | C12H14F7NO2 |
| Exact Mass | 337.091276 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EQXsWsMm2wG |
|---|---|
| Name | Tropine, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.091275834 u |
| Formula | C12H14F7NO2 |
| InChI | InChI=1S/C12H14F7NO2/c1-20-6-2-3-7(20)5-8(4-6)22-9(21)10(13,14)11(15,16)12(17,18)19/h6-8H,2-5H2,1H3/t6-,7+,8+ |
| InChIKey | HPUURXJBHKUNTM-JIGDXULJSA-N |
| Molecular Weight | 337.238 g/mol |
| SMILES | [C@@]12(N([C@@](C[C@](C2)(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)[H])(CC1)[H])C)[H] |