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3-(4-ALLYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-YL)-1-(2,4-DICHLOROBENZYL)-2(1H)-PYRIDONE

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3-(4-ALLYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-YL)-1-(2,4-DICHLOROBENZYL)-2(1H)-PYRIDONE
SpectraBase Compound ID Di481WTWLSN
InChI InChI=1S/C17H14Cl2N4OS/c1-2-7-23-15(20-21-17(23)25)13-4-3-8-22(16(13)24)10-11-5-6-12(18)9-14(11)19/h2-6,8-9H,1,7,10H2,(H,21,25)
InChIKey KUNZSKMULZUYQP-UHFFFAOYSA-N
Mol Weight 393.29 g/mol
Molecular Formula C17H14Cl2N4OS
Exact Mass 392.026538 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6IBGEwp1koT
Name 3-(4-ALLYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-YL)-1-(2,4-DICHLOROBENZYL)-2(1H)-PYRIDONE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14Cl2N4OS
InChI InChI=1S/C17H14Cl2N4OS/c1-2-7-23-15(20-21-17(23)25)13-4-3-8-22(16(13)24)10-11-5-6-12(18)9-14(11)19/h2-6,8-9H,1,7,10H2,(H,21,25)
InChIKey KUNZSKMULZUYQP-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 232-233C
Molecular Weight 393.30
Solvent DMSO-d6; Reference=TMS; Temperature 297K