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3-(4-tert-butylphenyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole
SpectraBase Compound ID 7JNLWGd61ew
InChI InChI=1S/C21H22F3N3S/c1-20(2,3)16-10-8-15(9-11-16)18-25-26-19(27(18)4)28-13-14-6-5-7-17(12-14)21(22,23)24/h5-12H,13H2,1-4H3
InChIKey UXKOSLMRTOEPDJ-UHFFFAOYSA-N
Mol Weight 405.48 g/mol
Molecular Formula C21H22F3N3S
Exact Mass 405.148653 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D0hQXE3L1J9
Name 3-(4-tert-butylphenyl)-4-methyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H22F3N3S/c1-20(2,3)16-10-8-15(9-11-16)18-25-26-19(27(18)4)28-13-14-6-5-7-17(12-14)21(22,23)24/h5-12H,13H2,1-4H3
InChIKey UXKOSLMRTOEPDJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4885
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: E08311; Labnumber: GRES-36907; SBI_ID: SBI-004887
Synonyms 5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide
Temperature 318 °C