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3-(4-tert-butylphenyl)-4-ethyl-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazole

View entire compound with spectra: 2 NMR

3-(4-tert-butylphenyl)-4-ethyl-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazole
SpectraBase Compound ID GF8yxRkT8qe
InChI InChI=1S/C22H27N3S/c1-6-25-20(18-11-13-19(14-12-18)22(3,4)5)23-24-21(25)26-15-17-9-7-16(2)8-10-17/h7-14H,6,15H2,1-5H3
InChIKey YCOHUVNVNLQAMY-UHFFFAOYSA-N
Mol Weight 365.54 g/mol
Molecular Formula C22H27N3S
Exact Mass 365.192569 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID pNrLutRLQe
Name 3-(4-Tert-butylphenyl)-4-ethyl-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.192569055 u
Formula C22H27N3S
InChI InChI=1S/C22H27N3S/c1-6-25-20(18-11-13-19(14-12-18)22(3,4)5)23-24-21(25)26-15-17-9-7-16(2)8-10-17/h7-14H,6,15H2,1-5H3
InChIKey YCOHUVNVNLQAMY-UHFFFAOYSA-N
Molecular Weight 365.539 g/mol
SMILES CCN1C(=NN=C1SCC1=CC=C(C=C1)C)C=1C=CC(C(C)(C)C)=CC1