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1-(4-chlorophenyl)-2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
SpectraBase Compound ID 8NQtakw42X3
InChI InChI=1S/C22H15Cl2N3OS/c23-16-12-10-15(11-13-16)20(28)14-29-22-26-25-21(18-8-4-5-9-19(18)24)27(22)17-6-2-1-3-7-17/h1-13H,14H2
InChIKey BFCSWROSHDPCTC-UHFFFAOYSA-N
Mol Weight 440.35 g/mol
Molecular Formula C22H15Cl2N3OS
Exact Mass 439.031289 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fad5aCbpXNO
Name 1-(4-chlorophenyl)-2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
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/C22H15Cl2N3OS/c23-16-12-10-15(11-13-16)20(28)14-29-22-26-25-21(18-8-4-5-9-19(18)24)27(22)17-6-2-1-3-7-17/h1-13H,14H2
InChIKey BFCSWROSHDPCTC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4013
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: D98401; Labnumber: GRES-20515; SBI_ID: SBI-004015
Temperature 308 °C