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5-(HEXAHYDRO-1,3-DIAZEPIN-2-YLIDENE)-PYRIMIDINO-2,4,6(1H,3H)-TRIONE
SpectraBase Compound ID D8R5Wj7MuYM
InChI InChI=1S/C9H12N4O3/c14-7-5(8(15)13-9(16)12-7)6-10-3-1-2-4-11-6/h10-11H,1-4H2,(H2,12,13,14,15,16)
InChIKey QQYHTHYBYVSXOE-UHFFFAOYSA-N
Mol Weight 224.22 g/mol
Molecular Formula C9H12N4O3
Exact Mass 224.09094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LYXqY8EkT6F
Name 5-(HEXAHYDRO-1,3-DIAZEPIN-2-YLIDENE)-PYRIMIDINO-2,4,6(1H,3H)-TRIONE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N4O3
InChI InChI=1S/C9H12N4O3/c14-7-5(8(15)13-9(16)12-7)6-10-3-1-2-4-11-6/h10-11H,1-4H2,(H2,12,13,14,15,16)
InChIKey QQYHTHYBYVSXOE-UHFFFAOYSA-N
Literature Reference Author J.D.FIGUEROA-VILLAR,F.C.CLEMENTE,A.C.C.D.SILVA
Literature Reference Citation J.BRAZ.CHEM.SOC.,12,247(2001)
Literature Reference DOI 10.1590/s0103-50532001000200020
Molecular Weight 224.219 g/mol
Solvent DMSO-D6
Source File Reference UWPA1333