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1-(4-methylphenyl)-2-{[4-phenyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

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1-(4-methylphenyl)-2-{[4-phenyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
SpectraBase Compound ID J5ReqafBkbT
InChI InChI=1S/C25H24N4OS/c1-18-8-12-20(13-9-18)23(30)17-31-25-28-27-24(29(25)22-6-4-3-5-7-22)16-26-21-14-10-19(2)11-15-21/h3-15,26H,16-17H2,1-2H3
InChIKey MWKXGNWTTJIFAB-UHFFFAOYSA-N
Mol Weight 428.55 g/mol
Molecular Formula C25H24N4OS
Exact Mass 428.167083 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4DOWRIFWG7B
Name 1-(4-methylphenyl)-2-{[4-phenyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
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/C25H24N4OS/c1-18-8-12-20(13-9-18)23(30)17-31-25-28-27-24(29(25)22-6-4-3-5-7-22)16-26-21-14-10-19(2)11-15-21/h3-15,26H,16-17H2,1-2H3
InChIKey MWKXGNWTTJIFAB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5592
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: NMR/11221919; Labnumber: 0892; IOH_ID: IOH-005593