| SpectraBase Spectrum ID |
LwJlGpskv06 |
| Name |
Cocaine, p-fluoro- |
| Alternate Name(s) |
Methyl (1R,2R,3S,5S)-3-((4-fluorobenzoyl)oxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20FNO4 |
| InChI |
InChI=1S/C17H20FNO4/c1-19-12-7-8-13(19)15(17(21)22-2)14(9-12)23-16(20)10-3-5-11(18)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14-,15+/m0/s1 |
| InChIKey |
JRPRINGETIYVSV-LJISPDSOSA-N |
| Molecular Weight |
321.348 g/mol |
| SMILES |
[C@]12([C@]([C@](C[C@](CC2)(N1C)[H])(OC(c1ccc(cc1)F)=O)[H])(C(=O)OC)[H])[H] |
| SPLASH |
splash10-001i-9400000000-973e57ca082a85e38b10 |
| Source of Spectrum |
SWG-33-2173-0 |
| Wiley ID |
1809583 |
