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5-(p-tert-butylphenyl)-4-(p-cumenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID BeMhhTrEeDu
InChI InChI=1S/C21H25N3S/c1-14(2)15-8-12-18(13-9-15)24-19(22-23-20(24)25)16-6-10-17(11-7-16)21(3,4)5/h6-14H,1-5H3,(H,23,25)
InChIKey BTYGCLSOJGJMDF-UHFFFAOYSA-N
Mol Weight 351.51 g/mol
Molecular Formula C21H25N3S
Exact Mass 351.176919 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7B53Ob2bDbt
Name 5-(p-tert-BUTYLPHENYL)-4-(p-CUMENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N3S
InChI InChI=1S/C21H25N3S/c1-14(2)15-8-12-18(13-9-15)24-19(22-23-20(24)25)16-6-10-17(11-7-16)21(3,4)5/h6-14H,1-5H3,(H,23,25)
InChIKey BTYGCLSOJGJMDF-UHFFFAOYSA-N
Melting Point 223-227C
Molecular Weight 351.52
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms TRIAZOLE-3-THIOL, 4H-1,2,4-, 5-/P-tert-BUTYLPHENYL/-4-/P-CUMENYL/-,