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2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dichlorophenyl)acetamide

View entire compound with spectra: 1 NMR

2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dichlorophenyl)acetamide
SpectraBase Compound ID 1fwlWITmoCV
InChI InChI=1S/C27H26Cl2N4O2S/c1-27(2,3)18-7-5-17(6-8-18)25-31-32-26(33(25)20-10-12-21(35-4)13-11-20)36-16-24(34)30-23-14-9-19(28)15-22(23)29/h5-15H,16H2,1-4H3,(H,30,34)
InChIKey JMVJUABAYAVDGV-UHFFFAOYSA-N
Mol Weight 541.5 g/mol
Molecular Formula C27H26Cl2N4O2S
Exact Mass 540.115353 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5u4Xa6dVSem
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-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/C27H26Cl2N4O2S/c1-27(2,3)18-7-5-17(6-8-18)25-31-32-26(33(25)20-10-12-21(35-4)13-11-20)36-16-24(34)30-23-14-9-19(28)15-22(23)29/h5-15H,16H2,1-4H3,(H,30,34)
InChIKey JMVJUABAYAVDGV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17409
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: D25590; Labnumber: GRES-04674; SBI_ID: SBI-017412
Temperature 308 °C