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EXO-3-(BICYCLO-[2.2.1]-HEPT-5-ENYL)-5-(4-CHLOROPHENYL)-1-(2,4-DICHLOROPHENYL)-1H-1,2,4-TRIAZOLE

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EXO-3-(BICYCLO-[2.2.1]-HEPT-5-ENYL)-5-(4-CHLOROPHENYL)-1-(2,4-DICHLOROPHENYL)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID IHQCAPeIgH5
InChI InChI=1S/C21H16Cl3N3/c22-15-5-3-13(4-6-15)21-25-20(17-10-12-1-2-14(17)9-12)26-27(21)19-8-7-16(23)11-18(19)24/h1-8,11-12,14,17H,9-10H2/t12-,14+,17+/m0/s1
InChIKey SZAKKKJHBOTUSA-DXCKQFNASA-N
Mol Weight 416.74 g/mol
Molecular Formula C21H16Cl3N3
Exact Mass 415.040981 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LPOkjqUTJP6
Name EXO-3-(BICYCLO-[2.2.1]-HEPT-5-ENYL)-5-(4-CHLOROPHENYL)-1-(2,4-DICHLOROPHENYL)-1H-1,2,4-TRIAZOLE
Compound Number 21B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H16Cl3N3
InChI InChI=1S/C21H16Cl3N3/c22-15-5-3-13(4-6-15)21-25-20(17-10-12-1-2-14(17)9-12)26-27(21)19-8-7-16(23)11-18(19)24/h1-8,11-12,14,17H,9-10H2/t12-,14+,17+/m0/s1
InChIKey SZAKKKJHBOTUSA-DXCKQFNASA-N
Literature Reference Author L.HERNANDEZ-FOLGADO,P.GOYA,J.FRIGOLA,M.R.CUBERES,A.DORDAL,J. HOLENZ,N.JAGEROVIC
Literature Reference Citation MH.CHEM.,139,1073(2008)
Literature Reference DOI 10.1007/s00706-008-0890-8
Molecular Weight 416.737 g/mol
Sample ID 40060
Solvent CDCl3