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4-(4-chlorobenzyl)-3,5-diphenyl-4H-1,2,4-triazole

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4-(4-chlorobenzyl)-3,5-diphenyl-4H-1,2,4-triazole
SpectraBase Compound ID KaR3tiaijEc
InChI InChI=1S/C21H16ClN3/c22-19-13-11-16(12-14-19)15-25-20(17-7-3-1-4-8-17)23-24-21(25)18-9-5-2-6-10-18/h1-14H,15H2
InChIKey PQOFMBJOUFXYHI-UHFFFAOYSA-N
Mol Weight 345.83 g/mol
Molecular Formula C21H16ClN3
Exact Mass 345.103275 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KdeKcaRcjbJ
Name 4-(4-chlorobenzyl)-3,5-diphenyl-4H-1,2,4-triazole
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/C21H16ClN3/c22-19-13-11-16(12-14-19)15-25-20(17-7-3-1-4-8-17)23-24-21(25)18-9-5-2-6-10-18/h1-14H,15H2
InChIKey PQOFMBJOUFXYHI-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23140
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: D37116; Labnumber: RYAB2-3328; SBI_ID: SBI-023144
Temperature 306 °C