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

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1,7-Dipropyl-4-methyl-2,4,6-triaza-tricyclo(5.1.1.0/2,6/)nonane-3,5-dione
SpectraBase Compound ID HW3F5WsqcYs
InChI InChI=1S/C13H21N3O2/c1-4-6-12-8-13(9-12,7-5-2)16-11(18)14(3)10(17)15(12)16/h4-9H2,1-3H3/t12-,13+
InChIKey MHGXWRIYJGBOMS-BETUJISGSA-N
Mol Weight 251.33 g/mol
Molecular Formula C13H21N3O2
Exact Mass 251.163377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7PbeorHT0bj
Name 1,7-Dipropyl-4-methyl-2,4,6-triaza-tricyclo(5.1.1.0/2,6/)nonane-3,5-dione
CAS Registry Number 112422-53-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H21N3O2
InChI InChI=1S/C13H21N3O2/c1-4-6-12-8-13(9-12,7-5-2)16-11(18)14(3)10(17)15(12)16/h4-9H2,1-3H3/t12-,13+
InChIKey MHGXWRIYJGBOMS-BETUJISGSA-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