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2,2',4,4',6,6'-Hexanitro-diphenyl-methane

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2,2',4,4',6,6'-Hexanitro-diphenyl-methane
SpectraBase Compound ID LkrrOLu69kE
InChI InChI=1S/C13H6N6O12/c20-14(21)6-1-10(16(24)25)8(11(2-6)17(26)27)5-9-12(18(28)29)3-7(15(22)23)4-13(9)19(30)31/h1-4H,5H2
InChIKey LEYOJBXIUCZNCT-UHFFFAOYSA-N
Mol Weight 438.22 g/mol
Molecular Formula C13H6N6O12
Exact Mass 438.00437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JdLEEP5Yor
Name 2,2',4,4',6,6'-Hexanitro-diphenyl-methane
CAS Registry Number 32255-27-9
Comments BRUKER AM 250 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H6N6O12
InChI InChI=1S/C13H6N6O12/c20-14(21)6-1-10(16(24)25)8(11(2-6)17(26)27)5-9-12(18(28)29)3-7(15(22)23)4-13(9)19(30)31/h1-4H,5H2
InChIKey LEYOJBXIUCZNCT-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference M-P. Simonnin, H-Q. Xie, F. Terrier, J. Chem. Soc. Perkin II 1553 (1989).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6