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1-(3,4-DICHLOROBENZYL)-3-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-2(1H)-PYRIDONE
SpectraBase Compound ID 9ZPy61Akago
InChI InChI=1S/C15H12Cl2N4OS/c1-20-13(18-19-15(20)23)10-3-2-6-21(14(10)22)8-9-4-5-11(16)12(17)7-9/h2-7H,8H2,1H3,(H,19,23)
InChIKey IPDWKVSGVJQPAZ-UHFFFAOYSA-N
Mol Weight 367.25 g/mol
Molecular Formula C15H12Cl2N4OS
Exact Mass 366.010888 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BpGzr7LWjwA
Name 1-(3,4-DICHLOROBENZYL)-3-(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)-2(1H)-PYRIDONE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12Cl2N4OS
InChI InChI=1S/C15H12Cl2N4OS/c1-20-13(18-19-15(20)23)10-3-2-6-21(14(10)22)8-9-4-5-11(16)12(17)7-9/h2-7H,8H2,1H3,(H,19,23)
InChIKey IPDWKVSGVJQPAZ-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 253-254.5C
Molecular Weight 367.26
Solvent DMSO-d6; Reference=TMS; Temperature 297K