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8,9-DIMETHYLENE-4-METHYL-2,4,6-TRIAZA-TRICYCLO-[5.1.1.0(2,6)]-NONANE-3,5-DIONE

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8,9-DIMETHYLENE-4-METHYL-2,4,6-TRIAZA-TRICYCLO-[5.1.1.0(2,6)]-NONANE-3,5-DIONE
SpectraBase Compound ID FbXuSY07Uof
InChI InChI=1S/C9H9N3O2/c1-4-6-5(2)7(4)12-9(14)10(3)8(13)11(6)12/h6-7H,1-2H2,3H3/t6-,7+
InChIKey XMZHGYOLIBMHNX-KNVOCYPGSA-N
Mol Weight 191.19 g/mol
Molecular Formula C9H9N3O2
Exact Mass 191.069477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7EgrL534T8n
Name 4-Methyl-8,9-dimethylene-2,4,6-triaza-tricyclo(5.1.1.0/2,6/)nona-3,5-diene
CAS Registry Number 120476-21-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H9N3O2
InChI InChI=1S/C9H9N3O2/c1-4-6-5(2)7(4)12-9(14)10(3)8(13)11(6)12/h6-7H,1-2H2,3H3/t6-,7+
InChIKey XMZHGYOLIBMHNX-KNVOCYPGSA-N
Literature Reference G.J. Snyder, D.A. Dougherty, J. Am. Chem. Soc. 107, 1774 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3