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2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dimethylphenyl)acetamide
SpectraBase Compound ID FlBXsTD6ImM
InChI InChI=1S/C25H24ClN5OS/c1-17-8-6-9-18(2)24(17)28-23(32)16-33-25-30-29-22(31(25)21-12-4-3-5-13-21)15-27-20-11-7-10-19(26)14-20/h3-14,27H,15-16H2,1-2H3,(H,28,32)
InChIKey MKUQCHSVLPLLCN-UHFFFAOYSA-N
Mol Weight 478.01 g/mol
Molecular Formula C25H24ClN5OS
Exact Mass 477.139009 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4822MEdjXRJ
Name 2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dimethylphenyl)acetamide
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/C25H24ClN5OS/c1-17-8-6-9-18(2)24(17)28-23(32)16-33-25-30-29-22(31(25)21-12-4-3-5-13-21)15-27-20-11-7-10-19(26)14-20/h3-14,27H,15-16H2,1-2H3,(H,28,32)
InChIKey MKUQCHSVLPLLCN-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6480
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/11252675; Labnumber: 1399; IOH_ID: IOH-006481