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4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl 4-nitrobenzyl sulfide

View entire compound with spectra: 1 NMR

4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl 4-nitrobenzyl sulfide
SpectraBase Compound ID 1sJJecRXwkf
InChI InChI=1S/C18H18N4O2S/c1-3-21-17(15-8-4-13(2)5-9-15)19-20-18(21)25-12-14-6-10-16(11-7-14)22(23)24/h4-11H,3,12H2,1-2H3
InChIKey VBLFAOGIMCKTKY-UHFFFAOYSA-N
Mol Weight 354.43 g/mol
Molecular Formula C18H18N4O2S
Exact Mass 354.115047 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 85UNSxSMCXN
Name 4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl 4-nitrobenzyl sulfide
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/C18H18N4O2S/c1-3-21-17(15-8-4-13(2)5-9-15)19-20-18(21)25-12-14-6-10-16(11-7-14)22(23)24/h4-11H,3,12H2,1-2H3
InChIKey VBLFAOGIMCKTKY-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14291
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: D98084; Labnumber: GRES-15528; SBI_ID: SBI-014294
Synonyms 4-ethyl-3-(4-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Temperature 308 °C