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ENDO-1,2-(DICARBOXY-N-PARA-METHYLPHENYLIMIDO)-3,3-DICYANO-1,2,3,10B-TETRAHYDROPYRROLO-[2,1-A]-PHTHALAZINE
SpectraBase Compound ID GCIRs8XbWeS
InChI InChI=1S/C22H15N5O2/c1-13-6-8-15(9-7-13)26-20(28)17-18(21(26)29)22(11-23,12-24)27-19(17)16-5-3-2-4-14(16)10-25-27/h2-10,17-19H,1H3/t17-,18-,19-/m0/s1
InChIKey BDKKXTRSZMSLLG-FHWLQOOXSA-N
Mol Weight 381.4 g/mol
Molecular Formula C22H15N5O2
Exact Mass 381.122575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97Jq67PGRoL
Name ENDO-1,2-(DICARBOXY-N-PARA-METHYLPHENYLIMIDO)-3,3-DICYANO-1,2,3,10B-TETRAHYDROPYRROLO-[2,1-A]-PHTHALAZINE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H15N5O2
InChI InChI=1S/C22H15N5O2/c1-13-6-8-15(9-7-13)26-20(28)17-18(21(26)29)22(11-23,12-24)27-19(17)16-5-3-2-4-14(16)10-25-27/h2-10,17-19H,1H3/t17-,18-,19-/m0/s1
InChIKey BDKKXTRSZMSLLG-FHWLQOOXSA-N
Literature Reference Author R.N.BUTLER,A.G.COYNE,W.J.CUNNINGHAM,L.A.BURKE
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1807(2002)
Literature Reference DOI 10.1039/b206028k
Molecular Weight 381.393 g/mol
Sample ID 31332
Solvent DMSO-D6