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4,4-DICHLORO-6-CYANO-2-[3-(INDOLYL)-ETHYL]-2-AZABICYCLO-[3.3.1]-NONAN-3-ONE
SpectraBase Compound ID 5ZPgBvYeEpe
InChI InChI=1S/C19H19Cl2N3O/c20-19(21)16-9-14(6-5-12(16)10-22)24(18(19)25)8-7-13-11-23-17-4-2-1-3-15(13)17/h1-4,11-12,14,16,23H,5-9H2/t12-,14-,16-/m1/s1
InChIKey KNJMQUVDEFSCBD-XNRPHZJLSA-N
Mol Weight 376.29 g/mol
Molecular Formula C19H19Cl2N3O
Exact Mass 375.090518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J3FReC8nVp6
Name 4,4-DICHLORO-6-CYANO-2-[3-(INDOLYL)-ETHYL]-2-AZABICYCLO-[3.3.1]-NONAN-3-ONE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H19Cl2N3O
InChI InChI=1S/C19H19Cl2N3O/c20-19(21)16-9-14(6-5-12(16)10-22)24(18(19)25)8-7-13-11-23-17-4-2-1-3-15(13)17/h1-4,11-12,14,16,23H,5-9H2/t12-,14-,16-/m1/s1
InChIKey KNJMQUVDEFSCBD-XNRPHZJLSA-N
Literature Reference Author J.QUIRANTE,C.ESCOLANO,F.DIABA,M.TORRA,J.BONJOCH
Literature Reference Citation MAGN.RES.CHEM.,38,891(2000)
Literature Reference DOI 10.1002/1097-458x(200010)38:10<891::aid-mrc725>3.3.co;2-y
Molecular Weight 376.285 g/mol
Solvent CDCl3
Source File Reference UWSI3555