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6-METHYL-6-PHENYL-4,4,8,8-TETRAKIS-(TRIFLUOROMETHYL)-1,5-DIAZABICYCLO-[3.3.0]-OCT-2-EN-2-CARBOXYLIC-ACID,ETHYLESTER
SpectraBase Compound ID JJ1YCzq88NI
InChI InChI=1S/C20H16F12N2O2/c1-3-36-13(35)12-9-33-15(17(21,22)23,18(24,25)26)10-14(2,11-7-5-4-6-8-11)34(33)16(12,19(27,28)29)20(30,31)32/h4-9H,3,10H2,1-2H3
InChIKey IXCWBFLVPGXCFO-UHFFFAOYSA-N
Mol Weight 544.34 g/mol
Molecular Formula C20H16F12N2O2
Exact Mass 544.102016 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ELJrOMqFH2s
Name 6-METHYL-6-PHENYL-4,4,8,8-TETRAKIS-(TRIFLUOROMETHYL)-1,5-DIAZABICYCLO-[3.3.0]-OCT-2-EN-2-CARBOXYLIC-ACID,ETHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16F12N2O2
InChI InChI=1S/C20H16F12N2O2/c1-3-36-13(35)12-9-33-15(17(21,22)23,18(24,25)26)10-14(2,11-7-5-4-6-8-11)34(33)16(12,19(27,28)29)20(30,31)32/h4-9H,3,10H2,1-2H3
InChIKey IXCWBFLVPGXCFO-UHFFFAOYSA-N
Literature Reference Author K.BURGER,H.SCHICKANEDER,W.THENN,G.EBNER,C.ZETTL
Literature Reference Citation LIEB.ANN.CHEM.,2156(1976)
Literature Reference DOI 10.1002/jlac.197619761203
Solvent CHCl3
Source File Reference UWPS191