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(2R,3R,3AS,7AS)-REL-1-(4-CHLOROPHENYL)-2,3,3A,7A-TETRAHYDRO-1H-PYRROLO-[3,2-B]-PYRIDINE-2,3-DICARBONITRILE
SpectraBase Compound ID HgtGQYt1mYw
InChI InChI=1S/C15H11ClN4/c16-10-3-5-11(6-4-10)20-13-2-1-7-19-15(13)12(8-17)14(20)9-18/h1-7,12-15H/t12-,13-,14-,15-/m0/s1
InChIKey YRDYBKBAXOFNFQ-AJNGGQMLSA-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 HkBDsczv6wL
Name (2R,3R,3AS,7AS)-REL-1-(4-CHLOROPHENYL)-2,3,3A,7A-TETRAHYDRO-1H-PYRROLO-[3,2-B]-PYRIDINE-2,3-DICARBONITRILE
Compound Number 15
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H11ClN4
InChI InChI=1S/C15H11ClN4/c16-10-3-5-11(6-4-10)20-13-2-1-7-19-15(13)12(8-17)14(20)9-18/h1-7,12-15H/t12-,13-,14-,15-/m0/s1
InChIKey YRDYBKBAXOFNFQ-AJNGGQMLSA-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 DMSO-D6
Source File Reference UWLU24246