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Cocaine, 4-fluoro-
SpectraBase Compound ID KYa8Ul6mtbv
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
Mol Weight 321.35 g/mol
Molecular Formula C17H20FNO4
Exact Mass 321.137636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFQkzHCfHXv
Name Cocaine, 4-fluoro-
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 C1C[C@@]2([C@@]([C@@](C[C@]1(N2C)[H])([H])OC(=O)c1ccc(cc1)F)([H])C(OC)=O)[H]
SPLASH splash10-001i-9300000000-e5e4497c98d99a729050
Source of Spectrum SWG-33-4766-0
Synonyms Methyl (1R,2R,3S,5S)-3-(4-fluorobenzoyloxy)-8-methyl-8-azabicyclo[3.2.1] octane-2-carboxylate 4'-Fluorococaine Methyl (1R,2R,3S,5S)-3-((4-fluorobenzoyl)oxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Wiley ID 1811359