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1,3-BIS-(8-CARBAMOYL-3,4-DIHYDRO-4-OXOIMIDAZO-[5,1-D]-[1,2,3,5]-TETRAZIN-3-YL-METHYL)-BENZENE

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1,3-BIS-(8-CARBAMOYL-3,4-DIHYDRO-4-OXOIMIDAZO-[5,1-D]-[1,2,3,5]-TETRAZIN-3-YL-METHYL)-BENZENE
SpectraBase Compound ID 59X5FGVlItU
InChI InChI=1S/C18H14N12O4/c19-13(31)11-15-23-25-29(17(33)27(15)7-21-11)5-9-2-1-3-10(4-9)6-30-18(34)28-8-22-12(14(20)32)16(28)24-26-30/h1-4,7-8H,5-6H2,(H2,19,31)(H2,20,32)
InChIKey RWWBCGXHEQKWJY-UHFFFAOYSA-N
Mol Weight 462.39 g/mol
Molecular Formula C18H14N12O4
Exact Mass 462.126097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JkXZvMLEPAa
Name 1,3-BIS-(8-CARBAMOYL-3,4-DIHYDRO-4-OXOIMIDAZO-[5,1-D]-[1,2,3,5]-TETRAZIN-3-YL-METHYL)-BENZENE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14N12O4
InChI InChI=1S/C18H14N12O4/c19-13(31)11-15-23-25-29(17(33)27(15)7-21-11)5-9-2-1-3-10(4-9)6-30-18(34)28-8-22-12(14(20)32)16(28)24-26-30/h1-4,7-8H,5-6H2,(H2,19,31)(H2,20,32)
InChIKey RWWBCGXHEQKWJY-UHFFFAOYSA-N
Literature Reference Author Y.WANG,R.T.WHEELHOUSE,L.ZHAO,D.A.F.LANGNEL,M.F.G.STEVENS
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1669(1998)
Literature Reference DOI 10.1039/a800572i
Molecular Weight 462.387 g/mol
Solvent DMSO-D6
Source File Reference UWBS669