| SpectraBase Spectrum ID |
I9jk9tHoBKr |
| Name |
Ecgonine, o-pentafluoropropionyl-, pentafluoropropyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
463.084139593 u |
| Formula |
C15H15F10NO4 |
| InChI |
InChI=1S/C15H15F10NO4/c1-26-6-2-3-7(26)9(10(27)29-5-12(16,17)14(20,21)22)8(4-6)30-11(28)13(18,19)15(23,24)25/h6-9H,2-5H2,1H3/t6-,7+,8-,9?/m0/s1 |
| InChIKey |
CWEBSRCANAWWIE-KRBWIIOGSA-N |
| Molecular Weight |
463.272 g/mol |
| SMILES |
C(F)(C(O[C@@]1(C(C(=O)OCC(C(F)(F)F)(F)F)[C@@]2(N(C)[C@@](CC2)(C1)[H])[H])[H])=O)(F)C(F)(F)F |
