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2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide

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2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
SpectraBase Compound ID 13weugdwPrE
InChI InChI=1S/C22H14Cl2F2N4OS/c23-13-5-8-15(9-6-13)30-21(16-3-1-2-4-17(16)24)28-29-22(30)32-12-20(31)27-14-7-10-18(25)19(26)11-14/h1-11H,12H2,(H,27,31)
InChIKey SPRNNOYVHGOMDM-UHFFFAOYSA-N
Mol Weight 491.34 g/mol
Molecular Formula C22H14Cl2F2N4OS
Exact Mass 490.023344 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID O643Rt0kc0
Name 2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)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/C22H14Cl2F2N4OS/c23-13-5-8-15(9-6-13)30-21(16-3-1-2-4-17(16)24)28-29-22(30)32-12-20(31)27-14-7-10-18(25)19(26)11-14/h1-11H,12H2,(H,27,31)
InChIKey SPRNNOYVHGOMDM-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4504
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: D99056; Labnumber: GRES-30800; SBI_ID: SBI-004506
Temperature 315 °C