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4-CHLORO-6-CYANO-2-[3-(INDOLYL)-ETHYL]-2-AZABICYCLO-[3.3.1]-NONAN-3-ONE
SpectraBase Compound ID K0RraLzA8zD
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+/m1/s1
InChIKey JZOABKHDLOEKDB-BQUDOFGOSA-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 9toPhE3cgcY
Name 4-CHLORO-6-CYANO-2-[3-(INDOLYL)-ETHYL]-2-AZABICYCLO-[3.3.1]-NONAN-3-ONE
Compound Number 14
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+/m1/s1
InChIKey JZOABKHDLOEKDB-BQUDOFGOSA-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 341.840 g/mol
Solvent CDCl3
Source File Reference UWSI3551