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2-CYANO-7-DIMETHYLAMINO-4,5,6,8,9,13B-HEXAHYDRO-4-METHYL-3-OXOISOQUINOLO-[1,2-B]-2,6A-DIAZA-3A-AZONIAPHENALENE;CHLORIDE
SpectraBase Compound ID 4bdrJ5cDLNU
InChI InChI=1S/C22H24N5O.ClH/c1-14-8-9-18-19(24(2)3)25-11-10-15-6-4-5-7-17(15)20(25)26-13-16(12-23)22(28)27(14)21(18)26;/h4-7,13-14,20H,8-11H2,1-3H3;1H/q+1;/p-1
InChIKey LZVXQAZMBNZIOP-UHFFFAOYSA-M
Mol Weight 409.92 g/mol
Molecular Formula C22H24ClN5O
Exact Mass 409.166938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7yeoNf6nYx3
Name 2-CYANO-7-DIMETHYLAMINO-4,5,6,8,9,13B-HEXAHYDRO-4-METHYL-3-OXOISOQUINOLO-[1,2-B]-2,6A-DIAZA-3A-AZONIAPHENALENE;CHLORIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H24ClN5O
InChI InChI=1S/C22H24N5O.ClH/c1-14-8-9-18-19(24(2)3)25-11-10-15-6-4-5-7-17(15)20(25)26-13-16(12-23)22(28)27(14)21(18)26;/h4-7,13-14,20H,8-11H2,1-3H3;1H/q+1;/p-1
InChIKey LZVXQAZMBNZIOP-UHFFFAOYSA-M
Literature Reference Author I.BITTER,B.PETE,B.AGAI,L.TOKE,G.TOTH,I.HERMECZ,K.SIMON,Z.MES ZAROS,L.PARKANYI
Literature Reference Citation HETEROCYCLES,26,2615(1987)
Literature Reference DOI 10.3987/R-1987-10-2615
Molecular Weight 409.918 g/mol
Solvent CDCl3:DMSO-D6
Source File Reference UWED25530