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2-{[4-(4-chlorophenyl)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide

View entire compound with spectra: 1 NMR

2-{[4-(4-chlorophenyl)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxydibenzo[b,d]furan-3-yl)acetamide
SpectraBase Compound ID HqklK4HmzEv
InChI InChI=1S/C28H23ClN6O3S/c1-16-21(14-34(2)33-16)27-31-32-28(35(27)18-10-8-17(29)9-11-18)39-15-26(36)30-22-13-24-20(12-25(22)37-3)19-6-4-5-7-23(19)38-24/h4-14H,15H2,1-3H3,(H,30,36)
InChIKey GHFAXCXJEKTEHB-UHFFFAOYSA-N
Mol Weight 559.04 g/mol
Molecular Formula C28H23ClN6O3S
Exact Mass 558.124087 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 27cBYJSrnyV
Name 2-{[4-(4-chlorophenyl)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxydibenzo[b,d]furan-3-yl)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/C28H23ClN6O3S/c1-16-21(14-34(2)33-16)27-31-32-28(35(27)18-10-8-17(29)9-11-18)39-15-26(36)30-22-13-24-20(12-25(22)37-3)19-6-4-5-7-23(19)38-24/h4-14H,15H2,1-3H3,(H,30,36)
InChIKey GHFAXCXJEKTEHB-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11274
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: UZI/1013744; Labnumber: NIV0731; UZI_ID: UZI-011276
Temperature 308 °C