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3-(p-tert-butylphenyl)-5-[(p-chlorobenzyl)thio]-4-(p-cumenyl)-4H-1,2,4-triazole

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3-(p-tert-butylphenyl)-5-[(p-chlorobenzyl)thio]-4-(p-cumenyl)-4H-1,2,4-triazole
SpectraBase Compound ID KPx1gkmzKSa
InChI InChI=1S/C28H30ClN3S/c1-19(2)21-10-16-25(17-11-21)32-26(22-8-12-23(13-9-22)28(3,4)5)30-31-27(32)33-18-20-6-14-24(29)15-7-20/h6-17,19H,18H2,1-5H3
InChIKey URLKQCFWVWBSME-UHFFFAOYSA-N
Mol Weight 476.08 g/mol
Molecular Formula C28H30ClN3S
Exact Mass 475.184897 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CYBSWJ5Hfyg
Name 3-(p-tert-BUTYLPHENYL)-5-[(p-CHLOROBENZYL)THIO]-4-(p-CUMENYL)-4H-1,2,4-TRIAZOLE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30ClN3S
InChI InChI=1S/C28H30ClN3S/c1-19(2)21-10-16-25(17-11-21)32-26(22-8-12-23(13-9-22)28(3,4)5)30-31-27(32)33-18-20-6-14-24(29)15-7-20/h6-17,19H,18H2,1-5H3
InChIKey URLKQCFWVWBSME-UHFFFAOYSA-N
Melting Point 186-188C
Molecular Weight 476.09
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms TRIAZOLE, 4H-1,2,4-, 3-/P-tert-BUTYLPHENYL/-5-//P-CHLOROBENZYL/THIO/-4-/P-CUMENYL/-,