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3-(4-tert-butylphenyl)-4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
SpectraBase Compound ID FO9AR42Xu3p
InChI InChI=1S/C21H24N4O2S/c1-5-24-19(16-8-10-17(11-9-16)21(2,3)4)22-23-20(24)28-14-15-6-12-18(13-7-15)25(26)27/h6-13H,5,14H2,1-4H3
InChIKey RLHLQGSSSCZNFO-UHFFFAOYSA-N
Mol Weight 396.51 g/mol
Molecular Formula C21H24N4O2S
Exact Mass 396.161997 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I4rDzY6EVQI
Name 3-(4-tert-butylphenyl)-4-ethyl-5-[(4-nitrobenzyl)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/C21H24N4O2S/c1-5-24-19(16-8-10-17(11-9-16)21(2,3)4)22-23-20(24)28-14-15-6-12-18(13-7-15)25(26)27/h6-13H,5,14H2,1-4H3
InChIKey RLHLQGSSSCZNFO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3833
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: D98103; Labnumber: GRES-15891; SBI_ID: SBI-003835
Synonyms 5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl 4-nitrobenzyl sulfide
Temperature 318 °C