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3-[(4-bromobenzyl)sulfanyl]-5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazole

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3-[(4-bromobenzyl)sulfanyl]-5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazole
SpectraBase Compound ID C3SvZeDVPmq
InChI InChI=1S/C21H19Br2N5S/c1-14-20(23)15(2)27(26-14)12-19-24-25-21(28(19)18-6-4-3-5-7-18)29-13-16-8-10-17(22)11-9-16/h3-11H,12-13H2,1-2H3
InChIKey WPCMFJAMYNPZCK-UHFFFAOYSA-N
Mol Weight 533.29 g/mol
Molecular Formula C21H19Br2N5S
Exact Mass 530.972793 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JZWuvuoxepH
Name 3-[(4-bromobenzyl)sulfanyl]-5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-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/C21H19Br2N5S/c1-14-20(23)15(2)27(26-14)12-19-24-25-21(28(19)18-6-4-3-5-7-18)29-13-16-8-10-17(22)11-9-16/h3-11H,12-13H2,1-2H3
InChIKey WPCMFJAMYNPZCK-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16873
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: UZI/1270145; Labnumber: PVB0025; UZI_ID: UZI-016877
Synonyms 4-bromobenzyl 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl sulfide
Temperature 308 °C