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3-(4-AMINO-5-THIOXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)-6-CHLORO-1-ETHYL-1,4-DIHYDRO-4-OXOQUINOLINE
SpectraBase Compound ID 2sXFoTFrcEF
InChI InChI=1S/C13H12ClN5OS/c1-2-18-6-9(12-16-17-13(21)19(12)15)11(20)8-5-7(14)3-4-10(8)18/h3-6H,2,15H2,1H3,(H,17,21)
InChIKey YECNUSVYXSJMJN-UHFFFAOYSA-N
Mol Weight 321.79 g/mol
Molecular Formula C13H12ClN5OS
Exact Mass 321.045109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID qtqmqZ7x3D
Name 3-(4-AMINO-5-THIOXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)-6-CHLORO-1-ETHYL-1,4-DIHYDRO-4-OXOQUINOLINE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12ClN5OS
InChI InChI=1S/C13H12ClN5OS/c1-2-18-6-9(12-16-17-13(21)19(12)15)11(20)8-5-7(14)3-4-10(8)18/h3-6H,2,15H2,1H3,(H,17,21)
InChIKey YECNUSVYXSJMJN-UHFFFAOYSA-N
Literature Reference Author Y.A.AL-SOUD,N.A.AL-MASOUDI
Literature Reference Citation J.BRAZ.CHEM.SOC.,14,790(2003)
Literature Reference DOI 10.1590/s0103-50532003000500014
Molecular Weight 321.784 g/mol
Solvent DMSO-D6
Source File Reference UWLU6958