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10-(4-CHLORO-BENZYL)-4-CYANO-3-ETHOXY-[1,2,5,10]-TETRAHYDRO-AZEPINO-[3,4-B]-INDOLE
SpectraBase Compound ID 5zgqXQc64Zm
InChI InChI=1S/C22H18ClN3O2/c1-2-28-22-15(12-24)11-18-17-5-3-4-6-19(17)26(20(18)21(27)25-22)13-14-7-9-16(23)10-8-14/h3-10H,2,11,13H2,1H3,(H,25,27)
InChIKey YTLRSNMBFOGYAZ-UHFFFAOYSA-N
Mol Weight 391.86 g/mol
Molecular Formula C22H18ClN3O2
Exact Mass 391.108755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EuA2rQ8kIg
Name 10-(4-CHLORO-BENZYL)-4-CYANO-3-ETHOXY-[1,2,5,10]-TETRAHYDRO-AZEPINO-[3,4-B]-INDOLE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18ClN3O2
InChI InChI=1S/C22H18ClN3O2/c1-2-28-22-15(12-24)11-18-17-5-3-4-6-19(17)26(20(18)21(27)25-22)13-14-7-9-16(23)10-8-14/h3-10H,2,11,13H2,1H3,(H,25,27)
InChIKey YTLRSNMBFOGYAZ-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 391.857 g/mol
Solvent DMSO-D6
Source File Reference UWSW635