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(1-ALPHA,4-ALPHA,4A-ALPHA,7A-ALPHA)-4,4A,7,7A-TETRAHYDRO-1,4-BIS-(4'-CYANOPHENYL)-8,8-DIMETHYL-1,4-METHANO-1H-CYCLOPENTA-[D]-PYRIDAZINE
SpectraBase Compound ID 2WhF12PyNxj
InChI InChI=1S/C24H20N4/c1-22(2)23(18-10-6-16(14-25)7-11-18)20-4-3-5-21(20)24(22,28-27-23)19-12-8-17(15-26)9-13-19/h3-4,6-13,20-21H,5H2,1-2H3/t20-,21+,23-,24+/m0/s1
InChIKey CCQWMRXZTQVNSG-SGKWCMOWSA-N
Mol Weight 364.45 g/mol
Molecular Formula C24H20N4
Exact Mass 364.168797 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lnj6A2QpsNY
Name (1-ALPHA,4-ALPHA,4A-ALPHA,7A-ALPHA)-4,4A,7,7A-TETRAHYDRO-1,4-BIS-(4'-CYANOPHENYL)-8,8-DIMETHYL-1,4-METHANO-1H-CYCLOPENTA-[D]-PYRIDAZINE
Compound Number 1,X=P-CN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H20N4
InChI InChI=1S/C24H20N4/c1-22(2)23(18-10-6-16(14-25)7-11-18)20-4-3-5-21(20)24(22,28-27-23)19-12-8-17(15-26)9-13-19/h3-4,6-13,20-21H,5H2,1-2H3/t20-,21+,23-,24+/m0/s1
InChIKey CCQWMRXZTQVNSG-SGKWCMOWSA-N
Literature Reference Author W.M.NAU,H.M.HARRER,W.ADAM
Literature Reference Citation J.AM.CHEM.SOC.,116,10972(1994)
Literature Reference DOI 10.1021/ja00103a012
Molecular Weight 364.450 g/mol
Solvent CDCl3
Source File Reference UWSI317