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WZBMVJGVOXWJRP-UHFFFAOYSA-N
SpectraBase Compound ID 8jVeWMpuiCJ
InChI InChI=1S/C22H21FN4O2S/c1-5-30-22-24-21(25-26-22)27-13(2)10-15-11-18(28-3)19(29-4)12-17(15)20(27)14-6-8-16(23)9-7-14/h6-12H,5H2,1-4H3
InChIKey WZBMVJGVOXWJRP-UHFFFAOYSA-N
Mol Weight 424.49 g/mol
Molecular Formula C22H21FN4O2S
Exact Mass 424.136925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cmp5OFKZ5kh
Name 3-METHYL-6,7-DIMETHOXY-1-(4-FLUOROPHENYL)-N-(5'-ETHYLTHIO-1'H-1,2,4-TRIAZOL-3'-YL)-ISOQUINOLINIUM-SALT
Compound Number 1/1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21FN4O2S
InChI InChI=1S/C22H21FN4O2S/c1-5-30-22-24-21(25-26-22)27-13(2)10-15-11-18(28-3)19(29-4)12-17(15)20(27)14-6-8-16(23)9-7-14/h6-12H,5H2,1-4H3
InChIKey WZBMVJGVOXWJRP-UHFFFAOYSA-N
Literature Reference Author I.PRAUDA,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,40,1041(2003)
Literature Reference DOI 10.1002/jhet.5570400612
Molecular Weight 424.493 g/mol
Solvent CDCl3
Source File Reference UWMS22943