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6,9-DIHYDRO-9,9-DIMETHYL-6-(2-PIPERIDIN-1-YL-ETHYL)-PYRANO-[3,2-F]-(1)-BENZOPYRANO-[4,3,2-C,D]-INDAZOLE-HYDROCHLORIDE
SpectraBase Compound ID FRgfkkk0LpB
InChI InChI=1S/C25H27N3O2.ClH/c1-25(2)11-10-18-21(30-25)16-19-22-23(17-8-4-5-9-20(17)29-24(18)22)26-28(19)15-14-27-12-6-3-7-13-27;/h4-5,8-11,16H,3,6-7,12-15H2,1-2H3;1H
InChIKey AGSVPQNIUIEQLH-UHFFFAOYSA-N
Mol Weight 437.97 g/mol
Molecular Formula C25H28ClN3O2
Exact Mass 437.187005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AoJRMRnzWqX
Name 6,9-DIHYDRO-9,9-DIMETHYL-6-(2-PIPERIDIN-1-YL-ETHYL)-PYRANO-[3,2-F]-(1)-BENZOPYRANO-[4,3,2-C,D]-INDAZOLE-HYDROCHLORIDE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28ClN3O2
InChI InChI=1S/C25H27N3O2.ClH/c1-25(2)11-10-18-21(30-25)16-19-22-23(17-8-4-5-9-20(17)29-24(18)22)26-28(19)15-14-27-12-6-3-7-13-27;/h4-5,8-11,16H,3,6-7,12-15H2,1-2H3;1H
InChIKey AGSVPQNIUIEQLH-UHFFFAOYSA-N
Literature Reference Author I.K.KOSTAKIS,P.MAGIATIS,N.POULI,P.MARAKOS,A.L.SKALTSOUNIS,H. PRATSINIS,S.LEONCE,A
Literature Reference Citation J.MED.CHEM.,45,2599(2002)
Literature Reference DOI 10.1021/jm011117g
Molecular Weight 437.969 g/mol
Sample ID 64415
Solvent CDCl3