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

View entire compound with spectra: 1 NMR

4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl 4-nitrobenzyl sulfide
SpectraBase Compound ID 2MWxxLA03Rb
InChI InChI=1S/C19H18N4O2S/c1-3-12-22-18(16-8-4-14(2)5-9-16)20-21-19(22)26-13-15-6-10-17(11-7-15)23(24)25/h3-11H,1,12-13H2,2H3
InChIKey VJXPDRXDGACQAG-UHFFFAOYSA-N
Mol Weight 366.44 g/mol
Molecular Formula C19H18N4O2S
Exact Mass 366.115047 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CPc5IiD8MoL
Name 4-allyl-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/C19H18N4O2S/c1-3-12-22-18(16-8-4-14(2)5-9-16)20-21-19(22)26-13-15-6-10-17(11-7-15)23(24)25/h3-11H,1,12-13H2,2H3
InChIKey VJXPDRXDGACQAG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4044
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: D98464; Labnumber: GRES-21354; SBI_ID: SBI-004046
Synonyms 4-allyl-3-(4-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Temperature 308 °C