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EXO-8,8-DICYANO-11-OXO-8A,9,10,11,11A,11B-HEXAHYDROCYCLOPENTA-[3,4]-TETRAHYDROPYRROLO-[2,1-A]-PHTHALAZINE
SpectraBase Compound ID DSHvRySG7Ab
InChI InChI=1S/C16H12N4O/c17-8-16(9-18)12-5-6-13(21)14(12)15-11-4-2-1-3-10(11)7-19-20(15)16/h1-4,7,12,14-15H,5-6H2/t12?,14-,15-/m0/s1
InChIKey UDGRSYPVJHIPCX-ZRNAQANOSA-N
Mol Weight 276.3 g/mol
Molecular Formula C16H12N4O
Exact Mass 276.101111 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fwv4uTSbhWT
Name EXO-8,8-DICYANO-11-OXO-8A,9,10,11,11A,11B-HEXAHYDROCYCLOPENTA-[3,4]-TETRAHYDROPYRROLO-[2,1-A]-PHTHALAZINE
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12N4O
InChI InChI=1S/C16H12N4O/c17-8-16(9-18)12-5-6-13(21)14(12)15-11-4-2-1-3-10(11)7-19-20(15)16/h1-4,7,12,14-15H,5-6H2/t12?,14-,15-/m0/s1
InChIKey UDGRSYPVJHIPCX-ZRNAQANOSA-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 276.297 g/mol
Sample ID 31329
Solvent DMSO-D6