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1-(3,4-dichlorophenyl)-6,7-dimethoxy-3-methyl-2-(2H-tetrazol-5-yl)-1H-isoquinoline
SpectraBase Compound ID Kg3TopBkR1j
InChI InChI=1S/C19H17Cl2N5O2/c1-10-6-12-8-16(27-2)17(28-3)9-13(12)18(26(10)19-22-24-25-23-19)11-4-5-14(20)15(21)7-11/h4-9,18H,1-3H3,(H,22,23,24,25)
InChIKey QAJAQFRONIUAIW-UHFFFAOYSA-N
Mol Weight 418.28 g/mol
Molecular Formula C19H17Cl2N5O2
Exact Mass 417.07593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNWgVUjHnHZ
Name 1-(3,4-dichlorophenyl)-6,7-dimethoxy-3-methyl-2-(2H-tetrazol-5-yl)-1H-isoquinoline
Compound Number 8D/2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H17Cl2N5O2
InChI InChI=1S/C19H17Cl2N5O2/c1-10-6-12-8-16(27-2)17(28-3)9-13(12)18(26(10)19-22-24-25-23-19)11-4-5-14(20)15(21)7-11/h4-9,18H,1-3H3,(H,22,23,24,25)
InChIKey QAJAQFRONIUAIW-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 418.282 g/mol
Solvent DMSO-D6
Source File Reference UWLU22537