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#7I;(1-ALPHA,4-ALPHA,4A-ALPHA,7A-ALPHA)-4,4A,7,7A-TETRAHYDRO-8,8-DIMETHYL-1-(4'-METHOXYPHENYL)-4-(4''-NITROPHENYL)-1,4-METHANO-1H-CYCLOPENTA-[D]-PYRIDAZINE

View entire compound with spectra: 1 NMR

#7I;(1-ALPHA,4-ALPHA,4A-ALPHA,7A-ALPHA)-4,4A,7,7A-TETRAHYDRO-8,8-DIMETHYL-1-(4'-METHOXYPHENYL)-4-(4''-NITROPHENYL)-1,4-METHANO-1H-CYCLOPENTA-[D]-PYRIDAZINE
SpectraBase Compound ID 29Mmh0uSUEH
InChI InChI=1S/C23H23N3O3/c1-21(2)22(15-7-11-17(12-8-15)26(27)28)19-5-4-6-20(19)23(21,25-24-22)16-9-13-18(29-3)14-10-16/h4-5,7-14,19-20H,6H2,1-3H3/t19-,20+,22-,23+/m0/s1
InChIKey WFKVFXCJFZALDE-PABCKOPISA-N
Mol Weight 389.46 g/mol
Molecular Formula C23H23N3O3
Exact Mass 389.173942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16QhBnExB3A
Name #7I;(1-ALPHA,4-ALPHA,4A-ALPHA,7A-ALPHA)-4,4A,7,7A-TETRAHYDRO-8,8-DIMETHYL-1-(4'-METHOXYPHENYL)-4-(4''-NITROPHENYL)-1,4-METHANO-1H-CYCLOPENTA-[D]-PYRIDAZINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H23N3O3
InChI InChI=1S/C23H23N3O3/c1-21(2)22(15-7-11-17(12-8-15)26(27)28)19-5-4-6-20(19)23(21,25-24-22)16-9-13-18(29-3)14-10-16/h4-5,7-14,19-20H,6H2,1-3H3/t19-,20+,22-,23+/m0/s1
InChIKey WFKVFXCJFZALDE-PABCKOPISA-N
Literature Reference Author W.ADAM,H.M.HARRER,W.M.NAU,K.PETERS
Literature Reference Citation J.ORG.CHEM.,59,3786(1994)
Literature Reference DOI 10.1021/jo00093a010
Molecular Weight 389.454 g/mol
Solvent CDCl3
Source File Reference UWCP6925