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5-(allylthio)-(p-tert-butylphenyl)-4-(p-chlorophenyl)-4H-1,2,4-triazole

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

5-(allylthio)-(p-tert-butylphenyl)-4-(p-chlorophenyl)-4H-1,2,4-triazole
SpectraBase Compound ID 1ZtURgZYXV
InChI InChI=1S/C21H22ClN3S/c1-5-14-26-20-24-23-19(25(20)18-12-10-17(22)11-13-18)15-6-8-16(9-7-15)21(2,3)4/h5-13H,1,14H2,2-4H3
InChIKey BJSJWVISSPDZRM-UHFFFAOYSA-N
Mol Weight 383.94 g/mol
Molecular Formula C21H22ClN3S
Exact Mass 383.122297 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID ALtEBkYZ1hA
Name 5-(ALLYLTHIO)-3-(p-tert-BUTYLPHENYL)-4-(p-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number SPB 266
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClN3S
InChI InChI=1S/C21H22ClN3S/c1-5-14-26-20-24-23-19(25(20)18-12-10-17(22)11-13-18)15-6-8-16(9-7-15)21(2,3)4/h5-13H,1,14H2,2-4H3
InChIKey BJSJWVISSPDZRM-UHFFFAOYSA-N
Melting Point 145-147C
Molecular Weight 383.937988
Synonyms TRIAZOLE, 4H-1,2,4-, 5-/ALLYLTHIO/- 3-/P-TERT-BUTYLPHENYL/-4-/P-CHLORO- PHENYL/-,
Technique KBr WAFER