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N-(3-chloro-2-methylphenyl)-2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 5aOfyYkErBZ
InChI InChI=1S/C26H24ClFN4O4S/c1-15-19(27)6-5-7-20(15)29-23(33)14-37-26-31-30-25(32(26)18-10-8-17(28)9-11-18)16-12-21(34-2)24(36-4)22(13-16)35-3/h5-13H,14H2,1-4H3,(H,29,33)
InChIKey SNIWHMVLIXUTMQ-UHFFFAOYSA-N
Mol Weight 543.01 g/mol
Molecular Formula C26H24ClFN4O4S
Exact Mass 542.119082 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6EOjRztM17X
Name N-(3-chloro-2-methylphenyl)-2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-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/C26H24ClFN4O4S/c1-15-19(27)6-5-7-20(15)29-23(33)14-37-26-31-30-25(32(26)18-10-8-17(28)9-11-18)16-12-21(34-2)24(36-4)22(13-16)35-3/h5-13H,14H2,1-4H3,(H,29,33)
InChIKey SNIWHMVLIXUTMQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24885
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: D48647; Labnumber: VGU-0022778; SBI_ID: SBI-024889
Temperature 308 °C