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ENDO-1,2-(DICARBOXY-N-PARA-BROMOPHENYLIMIDO)-3,3-DICYANO-1,2,3,10B-TETRAHYDROPYRROLO-[2,1-A]-PHTHALAZINE
SpectraBase Compound ID 1EvPGTZVDm8
InChI InChI=1S/C21H12BrN5O2/c22-13-5-7-14(8-6-13)26-19(28)16-17(20(26)29)21(10-23,11-24)27-18(16)15-4-2-1-3-12(15)9-25-27/h1-9,16-18H/t16-,17-,18-/m0/s1
InChIKey DJLZSKOLESXQLN-BZSNNMDCSA-N
Mol Weight 446.26 g/mol
Molecular Formula C21H12BrN5O2
Exact Mass 445.017438 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KpRNzFUpHIC
Name ENDO-1,2-(DICARBOXY-N-PARA-BROMOPHENYLIMIDO)-3,3-DICYANO-1,2,3,10B-TETRAHYDROPYRROLO-[2,1-A]-PHTHALAZINE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H12BrN5O2
InChI InChI=1S/C21H12BrN5O2/c22-13-5-7-14(8-6-13)26-19(28)16-17(20(26)29)21(10-23,11-24)27-18(16)15-4-2-1-3-12(15)9-25-27/h1-9,16-18H/t16-,17-,18-/m0/s1
InChIKey DJLZSKOLESXQLN-BZSNNMDCSA-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 446.263 g/mol
Sample ID 31331
Solvent DMSO-D6