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4-Methyl-3,5-dioxo-4-azatricyclo[5.5.2.0(2,6)]undec-10-ene-8,9-dicarbonitrile
SpectraBase Compound ID F2qE11p8vuA
InChI InChI=1S/C13H11N3O2/c1-16-12(17)10-6-2-3-7(11(10)13(16)18)9(5-15)8(6)4-14/h2-3,6-11H,1H3/t6-,7+,8-,9-,10?,11?/m0/s1
InChIKey WULYGWDPQWQPRN-ODNVVHBWSA-N
Mol Weight 241.25 g/mol
Molecular Formula C13H11N3O2
Exact Mass 241.085127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ULr7V0tKXr
Name 4-METHYL-3,5-DIOXO-4-AZATRICYCLO-[5.5.2.0(2,6)]-UNDEC-10-ENE-8,9-DICARBONITRILE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11N3O2
InChI InChI=1S/C13H11N3O2/c1-16-12(17)10-6-2-3-7(11(10)13(16)18)9(5-15)8(6)4-14/h2-3,6-11H,1H3/t6-,7+,8-,9-,10?,11?/m0/s1
InChIKey WULYGWDPQWQPRN-ODNVVHBWSA-N
Literature Reference Author D.STRUEBING,A.J.V.WANGELIN,H.NEUMANN,D.GOUERDES,S.HUEBNER,S. KLAUS,A.SPANNENBERG,
Literature Reference Citation EUR.J.ORG.CHEM.,107(2005)
Molecular Weight 241.249 g/mol
Sample ID 42269
Solvent DMSO-D6