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1-(2,4,6-Trinitro-phenyl)-1H-benzotriazole

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1-(2,4,6-Trinitro-phenyl)-1H-benzotriazole
SpectraBase Compound ID 6MxEaIe8nAY
InChI InChI=1S/C12H6N6O6/c19-16(20)7-5-10(17(21)22)12(11(6-7)18(23)24)15-9-4-2-1-3-8(9)13-14-15/h1-6H
InChIKey YLLVTHWRGKFSAE-UHFFFAOYSA-N
Mol Weight 330.22 g/mol
Molecular Formula C12H6N6O6
Exact Mass 330.034882 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27TA9Xqj3B4
Name 1-(2,4,6-Trinitro-phenyl)-1H-benzotriazole
CAS Registry Number 14758-25-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H6N6O6
InChI InChI=1S/C12H6N6O6/c19-16(20)7-5-10(17(21)22)12(11(6-7)18(23)24)15-9-4-2-1-3-8(9)13-14-15/h1-6H
InChIKey YLLVTHWRGKFSAE-UHFFFAOYSA-N
Instrument Name Jeol PS-100
Literature Reference M. Begtrup, J. Elguero, R. Faure, Magn. Res. Chem. 26, 134 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6