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2-{{[4-(4-chloro-3-nitrophenyl)-2-thiazolyl]methyl}thio}-5-(methylthio)-1,3,4-thiadiazole

View entire compound with spectra: 2 NMR, and 1 FTIR

2-{{[4-(4-chloro-3-nitrophenyl)-2-thiazolyl]methyl}thio}-5-(methylthio)-1,3,4-thiadiazole
SpectraBase Compound ID Ds94de0OPCy
InChI InChI=1S/C13H9ClN4O2S4/c1-21-12-16-17-13(24-12)23-6-11-15-9(5-22-11)7-2-3-8(14)10(4-7)18(19)20/h2-5H,6H2,1H3
InChIKey DCPXIODOKGLPIE-UHFFFAOYSA-N
Mol Weight 416.9 g/mol
Molecular Formula C13H9ClN4O2S4
Exact Mass 415.929688 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FJursgAky6b
Name 2-{{[4-(4-CHLORO-3-NITROPHENYL)-2-THIAZOLYL]METHYL}THIO}-5-(METHYLTHIO)-1,3,4-THIADIAZOLE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9ClN4O2S4
InChI InChI=1S/C13H9ClN4O2S4/c1-21-12-16-17-13(24-12)23-6-11-15-9(5-22-11)7-2-3-8(14)10(4-7)18(19)20/h2-5H,6H2,1H3
InChIKey DCPXIODOKGLPIE-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 112-114C
Molecular Weight 416.95
Solvent CDCl3; Reference=TMS; Temperature 297K