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7A-CHLORO-6-METYHL-7-METYHLIMINO-[7A-(13)C]-DIHYDROIMIDAZO-[1,5-C]-IMIDAZOLE-1,3,5-TRIONE-HYDROCHLORIDE
SpectraBase Compound ID Hu2NSu4Xn2D
InChI InChI=1S/C7H8N4O3.ClH/c1-8-4-3-5(12)9-6(13)11(3)7(14)10(4)2;/h3H,1-2H3,(H,9,12,13);1H/b8-4-;/i3+1;
InChIKey XZSQFKHKBWQBDD-CLAPLJDYSA-N
Mol Weight 233.62 g/mol
Molecular Formula C613CH9ClN4O3
Exact Mass 233.039673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Ctfrz1ZsHA
Name 7A-CHLORO-6-METYHL-7-METYHLIMINO-[7A-(13)C]-DIHYDROIMIDAZO-[1,5-C]-IMIDAZOLE-1,3,5-TRIONE-HYDROCHLORIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H9ClN4O3
InChI InChI=1S/C7H8N4O3.ClH/c1-8-4-3-5(12)9-6(13)11(3)7(14)10(4)2;/h3H,1-2H3,(H,9,12,13);1H/b8-4-;/i3+1;
InChIKey XZSQFKHKBWQBDD-CLAPLJDYSA-N
Literature Reference Author N.POJE,M.POJE
Literature Reference Citation ORG.LETTERS,5,4265(2003)
Literature Reference DOI 10.1021/ol035429k
Molecular Weight 232.626 g/mol
Sample ID 38884
Solvent ACETONITRILE-D3