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N-(3,4-dimethoxyphenyl)-2-{[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID DdlK2iry4IT
InChI InChI=1S/C23H23FN6O3S/c1-14-11-18(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(12-16)33-4/h5-12H,13H2,1-4H3,(H,25,31)
InChIKey CQXWVCROFKQWFA-UHFFFAOYSA-N
Mol Weight 482.53 g/mol
Molecular Formula C23H23FN6O3S
Exact Mass 482.153638 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LsAE84mqzs1
Name N-(3,4-dimethoxyphenyl)-2-{[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C23H23FN6O3S/c1-14-11-18(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(12-16)33-4/h5-12H,13H2,1-4H3,(H,25,31)
InChIKey CQXWVCROFKQWFA-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11288
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/1020235; Labnumber: NIV0859; UZI_ID: UZI-011290
Temperature 308 °C