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1,1A,1B,7,7A,7B-HEXAHYDRO-4-PHENYL-1,7-METHANO-3H-CYCLOPROPA-[3',4']-CYCLOBUTA-[1',2':3,4]-PYRAZOLO-[1,2-A]-[1,2,4]-TRIAZOL-3,5(4H)-DIONE

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1,1A,1B,7,7A,7B-HEXAHYDRO-4-PHENYL-1,7-METHANO-3H-CYCLOPROPA-[3',4']-CYCLOBUTA-[1',2':3,4]-PYRAZOLO-[1,2-A]-[1,2,4]-TRIAZOL-3,5(4H)-DIONE
SpectraBase Compound ID 4hhMFdMUNOR
InChI InChI=1S/C15H13N3O2/c19-14-16(7-4-2-1-3-5-7)15(20)18-13-11-8-6-9(17(14)18)12(13)10(8)11/h1-5,8-13H,6H2/t8-,9+,10+,11-,12+,13-/m0/s1
InChIKey UQYVLDRNAXNFDB-NGFXDRFKSA-N
Mol Weight 267.29 g/mol
Molecular Formula C15H13N3O2
Exact Mass 267.100777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8B0ykIZnlLQ
Name 1,1A,1B,7,7A,7B-HEXAHYDRO-4-PHENYL-1,7-METHANO-3H-CYCLOPROPA-[3',4']-CYCLOBUTA-[1',2':3,4]-PYRAZOLO-[1,2-A]-[1,2,4]-TRIAZOL-3,5(4H)-DIONE
CAS Registry Number 124856-52-6
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H13N3O2
InChI InChI=1S/C15H13N3O2/c19-14-16(7-4-2-1-3-5-7)15(20)18-13-11-8-6-9(17(14)18)12(13)10(8)11/h1-5,8-13H,6H2/t8-,9+,10+,11-,12+,13-/m0/s1
InChIKey UQYVLDRNAXNFDB-NGFXDRFKSA-N
Literature Reference Author R.LANG,C.HERZOG,R.STANGL,E.BRUNN,M.BRAUN,M.CHRISTL,E.M.PETER S,K.PETERS,H.G.VONSC
Literature Reference Citation CHEM.BER.,123,1193(1990)
Literature Reference DOI 10.1002/cber.19901230537
Molecular Weight 267.287 g/mol
Solvent CDCl3
Source File Reference UWED11407