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(2R,3R,3AS,7AS)-REL-1-(4-CHLOROPHENYL)-5-[(4-CHLOROPHENYL)-SUFANYL]-2,3,3A,7A-TETRAHYDRO-1H-PYRROLO-[3,2-B]-PYRIDINE-2,3-DICARBONITRILE

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(2R,3R,3AS,7AS)-REL-1-(4-CHLOROPHENYL)-5-[(4-CHLOROPHENYL)-SUFANYL]-2,3,3A,7A-TETRAHYDRO-1H-PYRROLO-[3,2-B]-PYRIDINE-2,3-DICARBONITRILE
SpectraBase Compound ID qUtQXfCVU7
InChI InChI=1S/C21H14Cl2N4S/c22-13-1-5-15(6-2-13)27-18-9-10-20(28-16-7-3-14(23)4-8-16)26-21(18)17(11-24)19(27)12-25/h1-10,17-19,21H/t17-,18-,19-,21-/m0/s1
InChIKey PKRKMVLEXJBECX-IWFBPKFRSA-N
Mol Weight 425.34 g/mol
Molecular Formula C21H14Cl2N4S
Exact Mass 424.031623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DmCFPevHD7v
Name (2R,3R,3AS,7AS)-REL-1-(4-CHLOROPHENYL)-5-[(4-CHLOROPHENYL)-SUFANYL]-2,3,3A,7A-TETRAHYDRO-1H-PYRROLO-[3,2-B]-PYRIDINE-2,3-DICARBONITRILE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H14Cl2N4S
InChI InChI=1S/C21H14Cl2N4S/c22-13-1-5-15(6-2-13)27-18-9-10-20(28-16-7-3-14(23)4-8-16)26-21(18)17(11-24)19(27)12-25/h1-10,17-19,21H/t17-,18-,19-,21-/m0/s1
InChIKey PKRKMVLEXJBECX-IWFBPKFRSA-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 425.335 g/mol
Solvent CDCl3:DMSO-D6
Source File Reference UWLU24238