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4,4-DICHLORO-2-[3-(INDOLYL)-ETHYL]-6-METHOXYCARBONYL-2-AZABICYCLO-[3.3.1]-NONAN-3-ONE
SpectraBase Compound ID KdObmBZriB2
InChI InChI=1S/C20H22Cl2N2O3/c1-27-18(25)15-7-6-13-10-16(15)20(21,22)19(26)24(13)9-8-12-11-23-17-5-3-2-4-14(12)17/h2-5,11,13,15-16,23H,6-10H2,1H3/t13-,15+,16-/m1/s1
InChIKey TUCMPWMHCXNFFK-VNQPRFMTSA-N
Mol Weight 409.31 g/mol
Molecular Formula C20H22Cl2N2O3
Exact Mass 408.100748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JRsRGMSL1b2
Name 4,4-DICHLORO-2-[3-(INDOLYL)-ETHYL]-6-METHOXYCARBONYL-2-AZABICYCLO-[3.3.1]-NONAN-3-ONE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22Cl2N2O3
InChI InChI=1S/C20H22Cl2N2O3/c1-27-18(25)15-7-6-13-10-16(15)20(21,22)19(26)24(13)9-8-12-11-23-17-5-3-2-4-14(12)17/h2-5,11,13,15-16,23H,6-10H2,1H3/t13-,15+,16-/m1/s1
InChIKey TUCMPWMHCXNFFK-VNQPRFMTSA-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 409.312 g/mol
Solvent CDCl3
Source File Reference UWSI3556