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5'-(DIMETHYLAMINO)-3',4'-DIHYDROXY-2'-OXOSPIRO-[CYCLOHEPTAN-1,4'-[2H]-IMIDAZOLINUM]-TRIFLUOROACETAMIDATE
SpectraBase Compound ID EShzZnmGiJ3
InChI InChI=1S/C13H19F3N4O2/c1-19(2)10-12(7-5-3-4-6-8-12)17-11(22)20(10)18-9(21)13(14,15)16/h3-8H2,1-2H3,(H-,17,18,21,22)
InChIKey FRZCUNCAQLLFMF-UHFFFAOYSA-N
Mol Weight 320.32 g/mol
Molecular Formula C13H19F3N4O2
Exact Mass 320.14601 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7xbKIX0xrpn
Name 5'-(DIMETHYLAMINO)-3',4'-DIHYDROXY-2'-OXOSPIRO-[CYCLOHEPTAN-1,4'-[2H]-IMIDAZOLINUM]-TRIFLUOROACETAMIDATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H19F3N4O2
InChI InChI=1S/C13H19F3N4O2/c1-19(2)10-12(7-5-3-4-6-8-12)17-11(22)20(10)18-9(21)13(14,15)16/h3-8H2,1-2H3,(H-,17,18,21,22)
InChIKey FRZCUNCAQLLFMF-UHFFFAOYSA-N
Literature Reference Author S.M.AMETAMEY,B.R.VINCENT,H.HEIMGARTNER
Literature Reference Citation HELV.CHIM.ACTA,73,492(1990)
Literature Reference DOI 10.1002/hlca.19900730230
Molecular Weight 320.315 g/mol
Solvent DMSO-D6
Source File Reference UWED15175