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2-[5-(ethylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-1,3-dimethyl-isoquinolin-2-ium

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2-[5-(ethylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-1,3-dimethyl-isoquinolin-2-ium
SpectraBase Compound ID 12vLmoMlb4E
InChI InChI=1S/C17H20N4O2S/c1-6-24-17-18-16(19-20-17)21-10(2)7-12-8-14(22-4)15(23-5)9-13(12)11(21)3/h7-9H,6H2,1-5H3
InChIKey XMJQWROTDKIZLC-UHFFFAOYSA-N
Mol Weight 344.43 g/mol
Molecular Formula C17H20N4O2S
Exact Mass 344.130697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FtFOuIu3isi
Name 2-[5-(ethylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-1,3-dimethyl-isoquinolin-2-ium
Compound Number 8/12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20N4O2S
InChI InChI=1S/C17H20N4O2S/c1-6-24-17-18-16(19-20-17)21-10(2)7-12-8-14(22-4)15(23-5)9-13(12)11(21)3/h7-9H,6H2,1-5H3
InChIKey XMJQWROTDKIZLC-UHFFFAOYSA-N
Literature Reference Author I.PRAUDA,I.KOEVESDI,P.TRINKA,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,38,403(2001)
Literature Reference DOI 10.1002/jhet.5570380215
Molecular Weight 344.431 g/mol
Solvent DMSO-D6
Source File Reference UWLU21150