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

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2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
SpectraBase Compound ID EnyOHb6imDq
InChI InChI=1S/C28H21ClN4O2S/c29-25-14-8-7-13-24(25)27-31-32-28(33(27)21-9-3-1-4-10-21)36-19-26(34)30-20-15-17-23(18-16-20)35-22-11-5-2-6-12-22/h1-18H,19H2,(H,30,34)
InChIKey JLUPMXWTCKELQJ-UHFFFAOYSA-N
Mol Weight 513.02 g/mol
Molecular Formula C28H21ClN4O2S
Exact Mass 512.107375 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6UpzTvrGeBt
Name 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)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/C28H21ClN4O2S/c29-25-14-8-7-13-24(25)27-31-32-28(33(27)21-9-3-1-4-10-21)36-19-26(34)30-20-15-17-23(18-16-20)35-22-11-5-2-6-12-22/h1-18H,19H2,(H,30,34)
InChIKey JLUPMXWTCKELQJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14289
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: D98082; Labnumber: GRES-15473; SBI_ID: SBI-014292
Temperature 308 °C