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BIS[5,13-BIS(TRIFLUOROMETHYL-7,11-DINITROBENZO)[C,F]-1,2,9,16-TETRAAZACYCLOOCTANOL
SpectraBase Compound ID 1NFFDrRUoTr
InChI InChI=1S/C14H8F6N6O5/c15-13(16,17)5-1-7-11(9(3-5)24(27)28)21-12-8(23-26(31)22-7)2-6(14(18,19)20)4-10(12)25(29)30/h1-4,21-23,31H
InChIKey JPHHJKRJJWHDED-UHFFFAOYSA-N
Mol Weight 454.25 g/mol
Molecular Formula C14H8F6N6O5
Exact Mass 454.046036 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LdzI1JLNDbG
Name BIS[5,13-BIS(TRIFLUOROMETHYL-7,11-DINITROBENZO)[C,F]-1,2,9,16-TETRAAZACYCLOOCTANOL
Comments THE SOLVENT IS CDCL3 OR DMSO-D6. SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H8F6N6O5
InChI InChI=1S/C14H8F6N6O5/c15-13(16,17)5-1-7-11(9(3-5)24(27)28)21-12-8(23-26(31)22-7)2-6(14(18,19)20)4-10(12)25(29)30/h1-4,21-23,31H
InChIKey JPHHJKRJJWHDED-UHFFFAOYSA-N
Instrument Name Varian XL-200
Literature Reference CHING-SUNG CHI, MEI-JEN CHEN, SHI-QUIN LIANG, DE-HUA CHEN (1988) J.Fluor.Chem.:v.38, N3, 327-334.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported