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3-(4-AMINO-5-THIOXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)-6,7-DICHLORO-1-ETHYL-1,4-DIHYDRO-4-OXOQUINOLINE
SpectraBase Compound ID HCLfF3Qxl40
InChI InChI=1S/C13H11Cl2N5OS/c1-2-19-5-7(12-17-18-13(22)20(12)16)11(21)6-3-8(14)9(15)4-10(6)19/h3-5H,2,16H2,1H3,(H,18,22)
InChIKey HMJWGTXOMBVTAZ-UHFFFAOYSA-N
Mol Weight 356.23 g/mol
Molecular Formula C13H11Cl2N5OS
Exact Mass 355.006137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9TePpCE7VxV
Name 3-(4-AMINO-5-THIOXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)-6,7-DICHLORO-1-ETHYL-1,4-DIHYDRO-4-OXOQUINOLINE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11Cl2N5OS
InChI InChI=1S/C13H11Cl2N5OS/c1-2-19-5-7(12-17-18-13(22)20(12)16)11(21)6-3-8(14)9(15)4-10(6)19/h3-5H,2,16H2,1H3,(H,18,22)
InChIKey HMJWGTXOMBVTAZ-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 356.229 g/mol
Solvent DMSO-D6
Source File Reference UWLU6959