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6,9-DIHYDRO-9,9-DIMETHYL-6-(2-PIPERIDIN-1-YL-ETHYL)-(1)-BENZOTHIOPYRANO-[4,3,2-C,D]-PYRANO-[3,2-F]-INDAZOLE
SpectraBase Compound ID 3h8AsI6BgC
InChI InChI=1S/C25H27N3OS/c1-25(2)11-10-17-20(29-25)16-19-22-23(18-8-4-5-9-21(18)30-24(17)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
InChIKey YZNRZDPZWVGAFH-UHFFFAOYSA-N
Mol Weight 417.57 g/mol
Molecular Formula C25H27N3OS
Exact Mass 417.187484 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1PDYGi6PyWG
Name 6,9-DIHYDRO-9,9-DIMETHYL-6-(2-PIPERIDIN-1-YL-ETHYL)-(1)-BENZOTHIOPYRANO-[4,3,2-C,D]-PYRANO-[3,2-F]-INDAZOLE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H27N3OS
InChI InChI=1S/C25H27N3OS/c1-25(2)11-10-17-20(29-25)16-19-22-23(18-8-4-5-9-21(18)30-24(17)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
InChIKey YZNRZDPZWVGAFH-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 417.569 g/mol
Sample ID 64423
Solvent CDCl3