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1,4,7-Trimethyl-2,4,6-triaza-tricyclo(5.1.1.0/2,6/)nonane-3,5-dione

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1,4,7-Trimethyl-2,4,6-triaza-tricyclo(5.1.1.0/2,6/)nonane-3,5-dione
SpectraBase Compound ID DoIGOvVa4j3
InChI InChI=1S/C9H13N3O2/c1-8-4-9(2,5-8)12-7(14)10(3)6(13)11(8)12/h4-5H2,1-3H3/t8-,9+
InChIKey MHLHKDWGFCEFLJ-DTORHVGOSA-N
Mol Weight 195.22 g/mol
Molecular Formula C9H13N3O2
Exact Mass 195.100777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 137lACWZ3Zg
Name 1,4,7-Trimethyl-2,4,6-triaza-tricyclo(5.1.1.0/2,6/)nonane-3,5-dione
CAS Registry Number 90742-82-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H13N3O2
InChI InChI=1S/C9H13N3O2/c1-8-4-9(2,5-8)12-7(14)10(3)6(13)11(8)12/h4-5H2,1-3H3/t8-,9+
InChIKey MHLHKDWGFCEFLJ-DTORHVGOSA-N
Instrument Name Varian XL-200
Literature Reference M.H. Chang, R. Jain, D.A. Dougherty, J. Am. Chem. Soc. 106, 4211 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Benzene-D6