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ETHYL-1-(4-CHLOROBENZYL)-3-(2,2-DICYANOETHENYL)-INDOLE-2-CARBOXYLATE
SpectraBase Compound ID Iad0pmjrB85
InChI InChI=1S/C22H16ClN3O2/c1-2-28-22(27)21-19(11-16(12-24)13-25)18-5-3-4-6-20(18)26(21)14-15-7-9-17(23)10-8-15/h3-11H,2,14H2,1H3
InChIKey XPOBOCLOQXBREU-UHFFFAOYSA-N
Mol Weight 389.84 g/mol
Molecular Formula C22H16ClN3O2
Exact Mass 389.093104 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5BMnd5Vxra9
Name ETHYL-1-(4-CHLOROBENZYL)-3-(2,2-DICYANOETHENYL)-INDOLE-2-CARBOXYLATE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H16ClN3O2
InChI InChI=1S/C22H16ClN3O2/c1-2-28-22(27)21-19(11-16(12-24)13-25)18-5-3-4-6-20(18)26(21)14-15-7-9-17(23)10-8-15/h3-11H,2,14H2,1H3
InChIKey XPOBOCLOQXBREU-UHFFFAOYSA-N
Literature Reference Author R.TROSCHUETZ,A.HOFFMANN
Literature Reference Citation J.HETCYCL.CHEM.,34,1431(1997)
Literature Reference DOI 10.1002/jhet.5570340510
Molecular Weight 389.841 g/mol
Solvent DMSO-D6
Source File Reference UWSW632