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1A,4A,4A-ALPHA,7A-ALPHA)-4,4A,5,6,7,7A-HEXAHYDRO-1-(2'-BROMOPHENYL)-8,8-DIMETHYL-4-PHENYL-1,4-METHANO-1H-CYCLOPENTA-[D]-PYRIDAZINE

View entire compound with spectra: 1 NMR

1A,4A,4A-ALPHA,7A-ALPHA)-4,4A,5,6,7,7A-HEXAHYDRO-1-(2'-BROMOPHENYL)-8,8-DIMETHYL-4-PHENYL-1,4-METHANO-1H-CYCLOPENTA-[D]-PYRIDAZINE
SpectraBase Compound ID 1xHQlF5sq2D
InChI InChI=1S/C22H23BrN2/c1-20(2)21(15-9-4-3-5-10-15)16-12-8-13-17(16)22(20,25-24-21)18-11-6-7-14-19(18)23/h3-7,9-11,14,16-17H,8,12-13H2,1-2H3/t16?,17-,21-,22-/m0/s1
InChIKey CVLSTJJWDLDRKD-HSTJLNBOSA-N
Mol Weight 395.34 g/mol
Molecular Formula C22H23BrN2
Exact Mass 394.104462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GsSQnRwOui5
Name 1A,4A,4A-ALPHA,7A-ALPHA)-4,4A,5,6,7,7A-HEXAHYDRO-1-(2'-BROMOPHENYL)-8,8-DIMETHYL-4-PHENYL-1,4-METHANO-1H-CYCLOPENTA-[D]-PYRIDAZINE
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H23BrN2
InChI InChI=1S/C22H23BrN2/c1-20(2)21(15-9-4-3-5-10-15)16-12-8-13-17(16)22(20,25-24-21)18-11-6-7-14-19(18)23/h3-7,9-11,14,16-17H,8,12-13H2,1-2H3/t16?,17-,21-,22-/m0/s1
InChIKey CVLSTJJWDLDRKD-HSTJLNBOSA-N
Literature Reference Author W.ADAM,C.VANBARNEVELD,J.S.GERKE,F.G.KLAERNER
Literature Reference Citation J.CHEM.SOC.PERKIN-2,2723(1999)
Literature Reference DOI 10.1039/a905773k
Molecular Weight 395.342 g/mol
Solvent CDCl3
Source File Reference UWRU11082