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(2R,3R,3AR)-REL-1-(4-CHLOROPHENYL)-1,2,3,3A-TETRAHYDROPYRAZOLE-[1,5-A]-PYRIDINE-2,3-DICARBONITRILE
SpectraBase Compound ID AnTq4Giwz1a
InChI InChI=1S/C15H11ClN4/c16-11-4-6-12(7-5-11)20-15(10-18)13(9-17)14-3-1-2-8-19(14)20/h1-8,13-15H/t13-,14-,15+/m1/s1
InChIKey GQVIGODPGYTQMV-KFWWJZLASA-N
Mol Weight 282.73 g/mol
Molecular Formula C15H11ClN4
Exact Mass 282.067224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 48VUU5Hp4wA
Name (2R,3R,3AR)-REL-1-(4-CHLOROPHENYL)-1,2,3,3A-TETRAHYDROPYRAZOLE-[1,5-A]-PYRIDINE-2,3-DICARBONITRILE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H11ClN4
InChI InChI=1S/C15H11ClN4/c16-11-4-6-12(7-5-11)20-15(10-18)13(9-17)14-3-1-2-8-19(14)20/h1-8,13-15H/t13-,14-,15+/m1/s1
InChIKey GQVIGODPGYTQMV-KFWWJZLASA-N
Literature Reference Author Z.RIEDL,P.KOEVER,T.S.G.HAJOS,O.EGYED,L.FABIAN,A.MESSMER
Literature Reference Citation J.ORG.CHEM.,68,5652(2003)
Literature Reference DOI 10.1021/jo034231a
Molecular Weight 282.732 g/mol
Solvent CDCl3
Source File Reference UWLU24245