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1H-1,7A-DIHYDRO-7-PENTAFLUOROETHYL-8-HEPTAFLUOROISOPROPYL-9,14-BENZODIAZEPINO[2,3-B]-1,6-BENZODIAZEPINE
SpectraBase Compound ID LZwlQqqG0zh
InChI InChI=1S/C21H10F12N4/c22-17(19(25,26)27,20(28,29)30)14-13-15(18(23,24)21(31,32)33)35-10-6-2-4-8-12(10)37-16(13)36-11-7-3-1-5-9(11)34-14/h1-8,13H,(H,36,37)
InChIKey YAXAJDCBJIIWMG-UHFFFAOYSA-N
Mol Weight 546.32 g/mol
Molecular Formula C21H10F12N4
Exact Mass 546.071384 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IcOkqKLLjm5
Name 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 C21H10F12N4
InChI InChI=1S/C21H10F12N4/c22-17(19(25,26)27,20(28,29)30)14-13-15(18(23,24)21(31,32)33)35-10-6-2-4-8-12(10)37-16(13)36-11-7-3-1-5-9(11)34-14/h1-8,13H,(H,36,37)
InChIKey YAXAJDCBJIIWMG-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