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4,5-DICYANO-1,8-DIMETHYL-2,7-DIAZA-3,6,9,10-TETRAOXATETRACYCLO-[6.2.1.0(2,4).0(5,7)]-UNDECANE
SpectraBase Compound ID 7fcdEN7QHkk
InChI InChI=1S/C9H8N4O4/c1-6-3-7(2,17-16-6)13-9(5-11,15-13)8(4-10)12(6)14-8/h3H2,1-2H3/t6-,7+,8-,9-,12?,13?/m1/s1
InChIKey QPCMVTFKJFKGOL-SUMUINSFSA-N
Mol Weight 236.19 g/mol
Molecular Formula C9H8N4O4
Exact Mass 236.054555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4PwNx6grgR0
Name 4,5-DICYANO-1,8-DIMETHYL-2,7-DIAZA-3,6,9,10-TETRAOXATETRACYCLO-[6.2.1.0(2,4).0(5,7)]-UNDECANE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8N4O4
InChI InChI=1S/C9H8N4O4/c1-6-3-7(2,17-16-6)13-9(5-11,15-13)8(4-10)12(6)14-8/h3H2,1-2H3/t6-,7+,8-,9-,12?,13?/m1/s1
InChIKey QPCMVTFKJFKGOL-SUMUINSFSA-N
Literature Reference Author V.T.RAMAKRISHNAN,J.H.BOYER
Literature Reference Citation HETEROCYCLES,16,1345(1981)
Literature Reference DOI 10.3987/R-1981-08-1345
Molecular Weight 236.187 g/mol
Solvent CDCl3
Source File Reference UWED9428