For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-{[4-(p-chlorophenyl)-5-(1-ethyl-3-methylpyrazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}acetanilide
SpectraBase Compound ID 4r9mjvAcQF0
InChI InChI=1S/C22H21ClN6OS/c1-3-28-19(13-15(2)27-28)21-25-26-22(29(21)18-11-9-16(23)10-12-18)31-14-20(30)24-17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3,(H,24,30)
InChIKey MXQZCSUSNZXZIO-UHFFFAOYSA-N
Mol Weight 452.96 g/mol
Molecular Formula C22H21ClN6OS
Exact Mass 452.118608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FziHKwE9Is4
Name 2-{[4-(p-CHLOROPHENYL)-5-(1-ETHYL-3-METHYLPYRAZOL-5-YL)-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETANILIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21ClN6OS
InChI InChI=1S/C22H21ClN6OS/c1-3-28-19(13-15(2)27-28)21-25-26-22(29(21)18-11-9-16(23)10-12-18)31-14-20(30)24-17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3,(H,24,30)
InChIKey MXQZCSUSNZXZIO-UHFFFAOYSA-N
Melting Point 161-163C
Molecular Weight 452.97
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ACETANILIDE, 2-{[4-(p-CHLOROPHENYL)-5-(1-ETHYL-3-METHYLPYRAZOL-5-YL)-4H-1,2,4-TRIAZOL-3-YL]THIO}-,