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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-(3,4-dimethoxyphenyl)acetamide
SpectraBase Compound ID FYCGymd7wWm
InChI InChI=1S/C23H23ClN6O3S/c1-14-18(12-29(2)28-14)22-26-27-23(30(22)17-8-5-15(24)6-9-17)34-13-21(31)25-16-7-10-19(32-3)20(11-16)33-4/h5-12H,13H2,1-4H3,(H,25,31)
InChIKey MBJOMMHWCCJECY-UHFFFAOYSA-N
Mol Weight 498.99 g/mol
Molecular Formula C23H23ClN6O3S
Exact Mass 498.124087 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EY3sMuaRKzi
Name 2-{[4-(4-chlorophenyl)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)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/C23H23ClN6O3S/c1-14-18(12-29(2)28-14)22-26-27-23(30(22)17-8-5-15(24)6-9-17)34-13-21(31)25-16-7-10-19(32-3)20(11-16)33-4/h5-12H,13H2,1-4H3,(H,25,31)
InChIKey MBJOMMHWCCJECY-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11273
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/1015721; Labnumber: NIV0729; UZI_ID: UZI-011275
Temperature 308 °C