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2-[6,9-DIHYDRO-9,9-DIMETHYL-(1)-BENZOTHIOPYRANO-[4,3,2-C,D]-PYRANO-[3,2-F]-INDAZOL-6-YL]-1-ETHANOL
SpectraBase Compound ID EkETGpzqEQw
InChI InChI=1S/C20H18N2O2S/c1-20(2)8-7-12-15(24-20)11-14-17-18(21-22(14)9-10-23)13-5-3-4-6-16(13)25-19(12)17/h3-8,11,23H,9-10H2,1-2H3
InChIKey CCHPWJCBHBCBSW-UHFFFAOYSA-N
Mol Weight 350.44 g/mol
Molecular Formula C20H18N2O2S
Exact Mass 350.108899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3GVHBD6wXo
Name 2-[6,9-DIHYDRO-9,9-DIMETHYL-(1)-BENZOTHIOPYRANO-[4,3,2-C,D]-PYRANO-[3,2-F]-INDAZOL-6-YL]-1-ETHANOL
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18N2O2S
InChI InChI=1S/C20H18N2O2S/c1-20(2)8-7-12-15(24-20)11-14-17-18(21-22(14)9-10-23)13-5-3-4-6-16(13)25-19(12)17/h3-8,11,23H,9-10H2,1-2H3
InChIKey CCHPWJCBHBCBSW-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 350.435 g/mol
Sample ID 64404
Solvent CDCl3