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2-{[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dichlorophenyl)acetamide
SpectraBase Compound ID LdxYxPwt841
InChI InChI=1S/C28H28Cl2N4O2S/c1-18-8-12-20(13-9-18)34-24(16-36-21-14-10-19(11-15-21)28(2,3)4)32-33-27(34)37-17-25(35)31-26-22(29)6-5-7-23(26)30/h5-15H,16-17H2,1-4H3,(H,31,35)
InChIKey XDRKVYNSIVCHSO-UHFFFAOYSA-N
Mol Weight 555.52 g/mol
Molecular Formula C28H28Cl2N4O2S
Exact Mass 554.131003 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3hR8G4uVvxD
Name 2-{[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dichlorophenyl)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/C28H28Cl2N4O2S/c1-18-8-12-20(13-9-18)34-24(16-36-21-14-10-19(11-15-21)28(2,3)4)32-33-27(34)37-17-25(35)31-26-22(29)6-5-7-23(26)30/h5-15H,16-17H2,1-4H3,(H,31,35)
InChIKey XDRKVYNSIVCHSO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5434
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/11221562; Labnumber: 0504; IOH_ID: IOH-005435