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2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-mesitylethanone

View entire compound with spectra: 1 NMR

2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-mesitylethanone
SpectraBase Compound ID 3AhvHOT7gkG
InChI InChI=1S/C19H18Cl2N4OS/c1-10-6-11(2)17(12(3)7-10)16(26)9-27-19-24-23-18(25(19)22)14-5-4-13(20)8-15(14)21/h4-8H,9,22H2,1-3H3
InChIKey DMBDSVAUFNAKHL-UHFFFAOYSA-N
Mol Weight 421.35 g/mol
Molecular Formula C19H18Cl2N4OS
Exact Mass 420.057838 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H75V1kB30Ec
Name 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-mesitylethanone
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/C19H18Cl2N4OS/c1-10-6-11(2)17(12(3)7-10)16(26)9-27-19-24-23-18(25(19)22)14-5-4-13(20)8-15(14)21/h4-8H,9,22H2,1-3H3
InChIKey DMBDSVAUFNAKHL-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6029
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/11241732; Labnumber: LP-2110614; IOH_ID: IOH-006030