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2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone
SpectraBase Compound ID FMxitDrWgJx
InChI InChI=1S/C23H19ClN4OS/c24-18-10-7-11-19(14-18)25-15-22-26-27-23(28(22)20-12-5-2-6-13-20)30-16-21(29)17-8-3-1-4-9-17/h1-14,25H,15-16H2
InChIKey GBYSPTOGECLVLF-UHFFFAOYSA-N
Mol Weight 434.95 g/mol
Molecular Formula C23H19ClN4OS
Exact Mass 434.09681 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2MryGUiPLPs
Name 2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone
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/C23H19ClN4OS/c24-18-10-7-11-19(14-18)25-15-22-26-27-23(28(22)20-12-5-2-6-13-20)30-16-21(29)17-8-3-1-4-9-17/h1-14,25H,15-16H2
InChIKey GBYSPTOGECLVLF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6694
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/11261916; Labnumber: 1494; IOH_ID: IOH-006695