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VMJCZWMOUNTLRK-UHFFFAOYSA-N
SpectraBase Compound ID LtEcqqEgJdM
InChI InChI=1S/C23H23FN4O2S/c1-13(2)31-23-25-22(26-27-23)28-14(3)10-16-11-19(29-4)20(30-5)12-18(16)21(28)15-6-8-17(24)9-7-15/h6-13H,1-5H3
InChIKey VMJCZWMOUNTLRK-UHFFFAOYSA-N
Mol Weight 438.52 g/mol
Molecular Formula C23H23FN4O2S
Exact Mass 438.152575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 90E0iD4J2eK
Name 3-METHYL-6,7-DIMETHOXY-1-(4-FLUOROPHENYL)-N-(5'-ISOPROPYLTHIO-1'H-1,2,4-TRIAZOL-3'-YL)-ISOQUINOLINIUM-SALT
Compound Number 1/2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H23FN4O2S
InChI InChI=1S/C23H23FN4O2S/c1-13(2)31-23-25-22(26-27-23)28-14(3)10-16-11-19(29-4)20(30-5)12-18(16)21(28)15-6-8-17(24)9-7-15/h6-13H,1-5H3
InChIKey VMJCZWMOUNTLRK-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 438.520 g/mol
Solvent CDCl3
Source File Reference UWMS22944