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4-METHYL-3-NITRO-2,3,5,6,6-PENTAFLUOROCYCLOHEXA-1,4-DIENE
SpectraBase Compound ID 5PowynBJt1S
InChI InChI=1S/C7H4F5NO2/c1-3-5(9)6(10,11)2-4(8)7(3,12)13(14)15/h2H,1H3
InChIKey AINXOQLEQLKKKX-UHFFFAOYSA-N
Mol Weight 229.11 g/mol
Molecular Formula C7H4F5NO2
Exact Mass 229.016219 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Gw9rIJ2aWx
Name 4-METHYL-3-NITRO-2,3,5,6,6-PENTAFLUOROCYCLOHEXA-1,4-DIENE
Comments C=20%. `+` AXIS-LOW FIELD (DIRECT INDICATION IN THE PUBLICATION)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H4F5NO2
InChI InChI=1S/C7H4F5NO2/c1-3-5(9)6(10,11)2-4(8)7(3,12)13(14)15/h2H,1H3
InChIKey AINXOQLEQLKKKX-UHFFFAOYSA-N
Instrument Name Varian A56/60A
Literature Reference A.A.SHTARK, V.D.SHTEINGARTS (1976) Izv.Sibir.Otdel.Akad.Nauk Ser.Khim.(Russ.Lang.): N4, 123-128.
NMR Standard C6F6
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4 carbon tetrachl