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3,5-Dioxo-4-methyl-2,4,6-triaza-tricyclo(5.1.1.0/2,6/)nonane-1,7-dicarboxylic acid

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3,5-Dioxo-4-methyl-2,4,6-triaza-tricyclo(5.1.1.0/2,6/)nonane-1,7-dicarboxylic acid
SpectraBase Compound ID 89Xm2G5CDol
InChI InChI=1S/C9H9N3O6/c1-10-6(17)11-8(4(13)14)2-9(3-8,5(15)16)12(11)7(10)18/h2-3H2,1H3,(H,13,14)(H,15,16)/t8-,9+
InChIKey WFZDLAJWRPQQBJ-DTORHVGOSA-N
Mol Weight 255.19 g/mol
Molecular Formula C9H9N3O6
Exact Mass 255.049135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gv9Ab9eg2C0
Name 3,5-Dioxo-4-methyl-2,4,6-triaza-tricyclo(5.1.1.0/2,6/)nonane-1,7-dicarboxylic acid
CAS Registry Number 112422-60-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H9N3O6
InChI InChI=1S/C9H9N3O6/c1-10-6(17)11-8(4(13)14)2-9(3-8,5(15)16)12(11)7(10)18/h2-3H2,1H3,(H,13,14)(H,15,16)/t8-,9+
InChIKey WFZDLAJWRPQQBJ-DTORHVGOSA-N
Instrument Name Jeol FX-90
Literature Reference R. Jain, M.B. Sponsler, F.D.Coms, J. Am. Chem. Soc. 110, 1356 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3