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Norcocaine TFA
SpectraBase Compound ID 9Wvo777UbfO
InChI InChI=1S/C18H18F3NO5/c1-26-16(24)14-12-8-7-11(22(12)17(25)18(19,20)21)9-13(14)27-15(23)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+,13+,14-/m1/s1
InChIKey GPYCZTQEKNZVEK-ZOBORPQBSA-N
Mol Weight 385.34 g/mol
Molecular Formula C18H18F3NO5
Exact Mass 385.113707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CY7P0BM0OKO
Name Norcocaine-TFA
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18F3NO5
InChI InChI=1S/C18H18F3NO5/c1-26-16(24)14-12-8-7-11(22(12)17(25)18(19,20)21)9-13(14)27-15(23)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+,13+,14-/m1/s1
InChIKey GPYCZTQEKNZVEK-ZOBORPQBSA-N
Molecular Weight 385.339 g/mol
SMILES [C@@]12(N([C@@](C[C@@]([C@@]2(C(=O)OC)[H])(OC(=O)c2ccccc2)[H])(CC1)[H])C(C(F)(F)F)=O)[H]
SPLASH splash10-0bt9-0920000000-0c39d933ffeaff87fa8a
Source of Spectrum KO-5-659-2
Synonyms Methyl (2R,3S)-3-(benzoyloxy)-8-(trifluoroacetyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
Wiley ID 1362120