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(1RS,4SR,5RS,6SR)-4-CHLORO-2-[2-(3-INDOLYL)-ETHYL]-3-OXO-2-AZABICLO-[3.3.1]-NONANE-6-CARBONITRILE
SpectraBase Compound ID 5UCtx8yDIe9
InChI InChI=1S/C19H20ClN3O/c20-18-16-9-14(6-5-12(16)10-21)23(19(18)24)8-7-13-11-22-17-4-2-1-3-15(13)17/h1-4,11-12,14,16,18,22H,5-9H2/t12-,14-,16-,18+/m0/s1
InChIKey JZOABKHDLOEKDB-WIRVQXDCSA-N
Mol Weight 341.84 g/mol
Molecular Formula C19H20ClN3O
Exact Mass 341.12949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KKD3StNZ3Ky
Name (1RS,4SR,5RS,6SR)-4-CHLORO-2-[2-(3-INDOLYL)-ETHYL]-3-OXO-2-AZABICLO-[3.3.1]-NONANE-6-CARBONITRILE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20ClN3O
InChI InChI=1S/C19H20ClN3O/c20-18-16-9-14(6-5-12(16)10-21)23(19(18)24)8-7-13-11-22-17-4-2-1-3-15(13)17/h1-4,11-12,14,16,18,22H,5-9H2/t12-,14-,16-,18+/m0/s1
InChIKey JZOABKHDLOEKDB-WIRVQXDCSA-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 341.840 g/mol
Sample ID 31229
Solvent CDCl3