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N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 3Y2EDOb2fIH
InChI InChI=1S/C25H20ClF3N4O2S/c1-15-4-3-5-16(12-15)23-31-32-24(33(23)18-7-9-19(35-2)10-8-18)36-14-22(34)30-21-11-6-17(26)13-20(21)25(27,28)29/h3-13H,14H2,1-2H3,(H,30,34)
InChIKey SYBBJPJCZTVVDF-UHFFFAOYSA-N
Mol Weight 532.97 g/mol
Molecular Formula C25H20ClF3N4O2S
Exact Mass 532.094759 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2UO2iMQ7Ltt
Name N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-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/C25H20ClF3N4O2S/c1-15-4-3-5-16(12-15)23-31-32-24(33(23)18-7-9-19(35-2)10-8-18)36-14-22(34)30-21-11-6-17(26)13-20(21)25(27,28)29/h3-13H,14H2,1-2H3,(H,30,34)
InChIKey SYBBJPJCZTVVDF-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4937
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: E08398; Labnumber: GRES-37014; SBI_ID: SBI-004939
Temperature 308 °C