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(2,4,6-TRINITROPHENYL)(2',6'-DINITRO-4'-TRIFLUOROMETHYLSULPHONYLPHENYL)AMINE, SODIUM SALT
SpectraBase Compound ID lZjm14DAPU
InChI InChI=1S/C13H4F3N6O12S.Na/c14-13(15,16)35(33,34)6-3-9(21(29)30)12(10(4-6)22(31)32)17-11-7(19(25)26)1-5(18(23)24)2-8(11)20(27)28;/h1-4H;/q-1;+1
InChIKey XGAVUXDIKNPUOO-UHFFFAOYSA-N
Mol Weight 548.25 g/mol
Molecular Formula C13H4F3N6NaO12S
Exact Mass 547.94577 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BlNdfUVp0sL
Name (2,4,6-TRINITROPHENYL)(2',6'-DINITRO-4'-TRIFLUOROMETHYLSULPHONYLPHENYL)AMINE, SODIUM SALT
Comments SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H4F3N6NaO12S
InChI InChI=1S/C13H4F3N6O12S.Na/c14-13(15,16)35(33,34)6-3-9(21(29)30)12(10(4-6)22(31)32)17-11-7(19(25)26)1-5(18(23)24)2-8(11)20(27)28;/h1-4H;/q-1;+1
InChIKey XGAVUXDIKNPUOO-UHFFFAOYSA-N
Instrument Name Tesla BS487
Literature Reference N.V.KONDRATENKO, A.A.KOLOMEITSEV, V.O.MOGILEVSKAYA, N.M.VARLAMOVA,L.M.YAGUPOL'SKY (1986) Zhurn.Org.Khim.(Russ. Lang.): v.22, N8, 1721-1729.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3H6O acetone