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4'-chloro-2-{[4-(p-chlorophenyl)-5-cyclopropyl-4H-1,2,4-triazol-3-yl]thio}acetophenone

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

4'-chloro-2-{[4-(p-chlorophenyl)-5-cyclopropyl-4H-1,2,4-triazol-3-yl]thio}acetophenone
SpectraBase Compound ID HIgMA3OFN1k
InChI InChI=1S/C19H15Cl2N3OS/c20-14-5-3-12(4-6-14)17(25)11-26-19-23-22-18(13-1-2-13)24(19)16-9-7-15(21)8-10-16/h3-10,13H,1-2,11H2
InChIKey GVGHWGRUVOOWQH-UHFFFAOYSA-N
Mol Weight 404.32 g/mol
Molecular Formula C19H15Cl2N3OS
Exact Mass 403.031289 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CkGEgoKAAV8
Name 4'-CHLORO-2-{[4-(p-CHLOROPHENYL)-5-CYCLOPROPYL-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETOPHENONE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15Cl2N3OS
InChI InChI=1S/C19H15Cl2N3OS/c20-14-5-3-12(4-6-14)17(25)11-26-19-23-22-18(13-1-2-13)24(19)16-9-7-15(21)8-10-16/h3-10,13H,1-2,11H2
InChIKey GVGHWGRUVOOWQH-UHFFFAOYSA-N
Melting Point 130-133C
Molecular Weight 404.32
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms TRIAZOLE, 4H-1,2,4-, 3-//P-CHLOROPHENACYL/THIO/-4-/P-CHLOROPHENYL/- 5-CYCLOPROPYL-, ACETOPHENONE, 4'-CHLORO- 2-//4-/P-CHLOROPHENYL/-5-CYCLOPROPYL- 4H-1,2,4-TRIAZOL-3-YL/THIO/-,