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2-[5-(isopropylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-1,3-dimethyl-isoquinolin-2-ium
SpectraBase Compound ID AG7Zgin8X7t
InChI InChI=1S/C18H22N4O2S/c1-10(2)25-18-19-17(20-21-18)22-11(3)7-13-8-15(23-5)16(24-6)9-14(13)12(22)4/h7-10H,1-6H3
InChIKey WVWVPXYXFYEBSE-UHFFFAOYSA-N
Mol Weight 358.46 g/mol
Molecular Formula C18H22N4O2S
Exact Mass 358.146347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2F0J0hmnxXm
Name 2-[5-(isopropylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-1,3-dimethyl-isoquinolin-2-ium
Compound Number 8/19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N4O2S
InChI InChI=1S/C18H22N4O2S/c1-10(2)25-18-19-17(20-21-18)22-11(3)7-13-8-15(23-5)16(24-6)9-14(13)12(22)4/h7-10H,1-6H3
InChIKey WVWVPXYXFYEBSE-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 358.458 g/mol
Solvent DMSO-D6
Source File Reference UWLU21157