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3-AMINO-10-(4-CHLORO-BENZYL)-4-CYANO-1-OXO-[1,2,5,10]-TETRAHYDRO-AZEPINO-[3,4-B]-INDOLE
SpectraBase Compound ID DjYyeaVDSqZ
InChI InChI=1S/C20H15ClN4O/c21-14-7-5-12(6-8-14)11-25-17-4-2-1-3-15(17)16-9-13(10-22)19(23)24-20(26)18(16)25/h1-8H,9,11,23H2,(H,24,26)
InChIKey OQCILGLFBDVKCW-UHFFFAOYSA-N
Mol Weight 362.82 g/mol
Molecular Formula C20H15ClN4O
Exact Mass 362.093439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4BTdfol1DNV
Name 3-AMINO-10-(4-CHLORO-BENZYL)-4-CYANO-1-OXO-[1,2,5,10]-TETRAHYDRO-AZEPINO-[3,4-B]-INDOLE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H15ClN4O
InChI InChI=1S/C20H15ClN4O/c21-14-7-5-12(6-8-14)11-25-17-4-2-1-3-15(17)16-9-13(10-22)19(23)24-20(26)18(16)25/h1-8H,9,11,23H2,(H,24,26)
InChIKey OQCILGLFBDVKCW-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 362.818 g/mol
Solvent DMSO-D6
Source File Reference UWSW636