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3-[(4-bromobenzyl)sulfanyl]-4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazole

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3-[(4-bromobenzyl)sulfanyl]-4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazole
SpectraBase Compound ID HaAhr7KkKBv
InChI InChI=1S/C22H17BrClN3S/c1-15-2-6-17(7-3-15)21-25-26-22(27(21)20-12-10-19(24)11-13-20)28-14-16-4-8-18(23)9-5-16/h2-13H,14H2,1H3
InChIKey CTSVLAOBVKHVSA-UHFFFAOYSA-N
Mol Weight 470.82 g/mol
Molecular Formula C22H17BrClN3S
Exact Mass 469.001509 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Esp3nyyLeR4
Name 3-[(4-bromobenzyl)sulfanyl]-4-(4-chlorophenyl)-5-(4-methylphenyl)-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/C22H17BrClN3S/c1-15-2-6-17(7-3-15)21-25-26-22(27(21)20-12-10-19(24)11-13-20)28-14-16-4-8-18(23)9-5-16/h2-13H,14H2,1H3
InChIKey CTSVLAOBVKHVSA-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4381
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: D98916; Labnumber: GRES-28360; SBI_ID: SBI-004383
Synonyms 4-bromobenzyl 4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl sulfide
Temperature 306 °C