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3,5-bis[(p-chlorophenacyl)thio]-4-methyl-4H-1,2,4-triazole

View entire compound with spectra: 3 NMR, and 1 FTIR

3,5-bis[(p-chlorophenacyl)thio]-4-methyl-4H-1,2,4-triazole
SpectraBase Compound ID 9GlDNT0OarA
InChI InChI=1S/C19H15Cl2N3O2S2/c1-24-18(27-10-16(25)12-2-6-14(20)7-3-12)22-23-19(24)28-11-17(26)13-4-8-15(21)9-5-13/h2-9H,10-11H2,1H3
InChIKey DWUFJQYRYPRFLK-UHFFFAOYSA-N
Mol Weight 452.37 g/mol
Molecular Formula C19H15Cl2N3O2S2
Exact Mass 450.998274 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FROdovEOu4f
Name 3,5-BIS[(p-CHLOROPHENACYL)THIO]-4-METHYL-4H-1,2,4-TRIAZOLE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15Cl2N3O2S2
InChI InChI=1S/C19H15Cl2N3O2S2/c1-24-18(27-10-16(25)12-2-6-14(20)7-3-12)22-23-19(24)28-11-17(26)13-4-8-15(21)9-5-13/h2-9H,10-11H2,1H3
InChIKey DWUFJQYRYPRFLK-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 452.38
Solvent CDCl3; Reference=TMS; Temperature 297K