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N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 81oBdHNXsZH
InChI InChI=1S/C23H17Cl2FN4O2S/c1-32-20-5-3-2-4-17(20)22-28-29-23(30(22)16-9-6-14(24)7-10-16)33-13-21(31)27-15-8-11-19(26)18(25)12-15/h2-12H,13H2,1H3,(H,27,31)
InChIKey SCMYKGVSUCFRMH-UHFFFAOYSA-N
Mol Weight 503.38 g/mol
Molecular Formula C23H17Cl2FN4O2S
Exact Mass 502.043331 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7mi0429g0Mg
Name N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-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/C23H17Cl2FN4O2S/c1-32-20-5-3-2-4-17(20)22-28-29-23(30(22)16-9-6-14(24)7-10-16)33-13-21(31)27-15-8-11-19(26)18(25)12-15/h2-12H,13H2,1H3,(H,27,31)
InChIKey SCMYKGVSUCFRMH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11442
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: E06338; Labnumber: GRES-20898; SBI_ID: SBI-011445
Temperature 308 °C