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6,7-DIMETHOXY-3-METHYL-1-[4-(2-PROPYPHENYL)]-2-(2-HYDROXYPHENYL)-ISOQUINOLINIUM-CHLORIDE
SpectraBase Compound ID DtBChUTR9of
InChI InChI=1S/C27H27NO3.ClH/c1-17(2)19-10-12-20(13-11-19)27-22-16-26(31-5)25(30-4)15-21(22)14-18(3)28(27)23-8-6-7-9-24(23)29;/h6-17H,1-5H3;1H
InChIKey GSHATHLWWWGENE-UHFFFAOYSA-N
Mol Weight 449.98 g/mol
Molecular Formula C27H28ClNO3
Exact Mass 449.175771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FUhPK8G8PF7
Name 6,7-DIMETHOXY-3-METHYL-1-[4-(2-PROPYPHENYL)]-2-(2-HYDROXYPHENYL)-ISOQUINOLINIUM-CHLORIDE
Compound Number 12D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28ClNO3
InChI InChI=1S/C27H27NO3.ClH/c1-17(2)19-10-12-20(13-11-19)27-22-16-26(31-5)25(30-4)15-21(22)14-18(3)28(27)23-8-6-7-9-24(23)29;/h6-17H,1-5H3;1H
InChIKey GSHATHLWWWGENE-UHFFFAOYSA-N
Literature Reference Author I.PRAUDA,M.T.LAURITZ,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,41,915(2004)
Literature Reference DOI 10.1002/jhet.5570410611
Molecular Weight 449.977 g/mol
Solvent DMSO-D6
Source File Reference UWLU22553