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5-(p-tert-butylphenyl)-4-(p-chlorophenyl)-4H-1,2,4-triazole-3-thiol

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

5-(p-tert-butylphenyl)-4-(p-chlorophenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 5ukyTt1uXD0
InChI InChI=1S/C18H18ClN3S/c1-18(2,3)13-6-4-12(5-7-13)16-20-21-17(23)22(16)15-10-8-14(19)9-11-15/h4-11H,1-3H3,(H,21,23)
InChIKey XKULROXVGOGMDR-UHFFFAOYSA-N
Mol Weight 343.88 g/mol
Molecular Formula C18H18ClN3S
Exact Mass 343.090996 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID IC4cevL1mMx
Name 5-(p-tert-BUTYLPHENYL)-4-(p-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number SPB 263
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClN3S
InChI InChI=1S/C18H18ClN3S/c1-18(2,3)13-6-4-12(5-7-13)16-20-21-17(23)22(16)15-10-8-14(19)9-11-15/h4-11H,1-3H3,(H,21,23)
InChIKey XKULROXVGOGMDR-UHFFFAOYSA-N
Melting Point 246-249C
Molecular Weight 343.872986
Synonyms TRIAZOLE-3-THIOL, 4H-1,2,4-, 5-/P-TERT-BUTYLPHENYL/-4-/P-CHLORO- PHENYL/-,
Technique KBr WAFER