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(1RS,5RS,6SR)-4,4-DICHLORO-2-[2-(3-INDOLYL)-ETHYL]-3-OXO-2-AZABICLO-[3.3.1]-NONANE-6-CARBONITRILE
SpectraBase Compound ID J7obD4azDse
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-/m0/s1
InChIKey KNJMQUVDEFSCBD-NOLJZWGESA-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 1NB17G1TLD5
Name (1RS,5RS,6SR)-4,4-DICHLORO-2-[2-(3-INDOLYL)-ETHYL]-3-OXO-2-AZABICLO-[3.3.1]-NONANE-6-CARBONITRILE
Compound Number 14
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-/m0/s1
InChIKey KNJMQUVDEFSCBD-NOLJZWGESA-N
Literature Reference Author J.QUIRANTE,C.ESCOLANO,A.MERINO,J.BONJOCH
Literature Reference Citation J.ORG.CHEM.,63,968(1998)
Literature Reference DOI 10.1021/jo971148c
Molecular Weight 376.285 g/mol
Sample ID 31228
Solvent CDCl3