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10-(4-CHLORO-BENZYL)-4-CYANO-3-METHOXY-[1,2,5,10]-TETRAHYDRO-AZEPINO-[3,4-B]-INDOLE
SpectraBase Compound ID JYWX1fTQvz4
InChI InChI=1S/C21H16ClN3O2/c1-27-21-14(11-23)10-17-16-4-2-3-5-18(16)25(19(17)20(26)24-21)12-13-6-8-15(22)9-7-13/h2-9H,10,12H2,1H3,(H,24,26)
InChIKey VKRZQSIKPBACDO-UHFFFAOYSA-N
Mol Weight 377.83 g/mol
Molecular Formula C21H16ClN3O2
Exact Mass 377.093104 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LrQYgkhLoC9
Name 10-(4-CHLORO-BENZYL)-4-CYANO-3-METHOXY-[1,2,5,10]-TETRAHYDRO-AZEPINO-[3,4-B]-INDOLE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H16ClN3O2
InChI InChI=1S/C21H16ClN3O2/c1-27-21-14(11-23)10-17-16-4-2-3-5-18(16)25(19(17)20(26)24-21)12-13-6-8-15(22)9-7-13/h2-9H,10,12H2,1H3,(H,24,26)
InChIKey VKRZQSIKPBACDO-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 377.830 g/mol
Solvent DMSO-D6
Source File Reference UWSW634