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4,11-DIMETHYL-1H-1,7A-DIHYDRO-7-PENTAFLUOROETHYL-8-HEPTAFLUOROISOPROPYL-9,14-BENZODIAZEPINO[2,3-B]-1,6-BENZODIAZEPINE
SpectraBase Compound ID C5Yy8Vd5Muj
InChI InChI=1S/C23H14F12N4/c1-9-3-5-11-13(7-9)36-16(19(24,21(27,28)29)22(30,31)32)15-17(20(25,26)23(33,34)35)37-14-8-10(2)4-6-12(14)39-18(15)38-11/h3-8,15H,1-2H3,(H,38,39)
InChIKey VYKRSELMLWOKNY-UHFFFAOYSA-N
Mol Weight 574.37 g/mol
Molecular Formula C23H14F12N4
Exact Mass 574.102684 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 23Tngtk6Q4T
Name 4,11-DIMETHYL-1H-1,7A-DIHYDRO-7-PENTAFLUOROETHYL-8-HEPTAFLUOROISOPROPYL-9,14-BENZODIAZEPINO[2,3-B]-1,6-BENZODIAZEPINE
Comments SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H14F12N4
InChI InChI=1S/C23H14F12N4/c1-9-3-5-11-13(7-9)36-16(19(24,21(27,28)29)22(30,31)32)15-17(20(25,26)23(33,34)35)37-14-8-10(2)4-6-12(14)39-18(15)38-11/h3-8,15H,1-2H3,(H,38,39)
InChIKey VYKRSELMLWOKNY-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference M.MARUTA, S.KUBOTA, N.YOSHIMURA, T.KITAZUME, N.ISHIKAWA (1980) J.Fluor.Chem.:v.16, N1, 75-88.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported