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3-bromo-2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-5-nitropyridine
SpectraBase Compound ID 9xuw6uvM78G
InChI InChI=1S/C24H22BrN5O3S/c1-24(2,3)16-9-11-19(12-10-16)33-15-21-27-28-23(29(21)17-7-5-4-6-8-17)34-22-20(25)13-18(14-26-22)30(31)32/h4-14H,15H2,1-3H3
InChIKey QSWQZSCOERSRQC-UHFFFAOYSA-N
Mol Weight 540.44 g/mol
Molecular Formula C24H22BrN5O3S
Exact Mass 539.062674 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FCmGJiVpw0c
Name 3-bromo-2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-5-nitropyridine
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/C24H22BrN5O3S/c1-24(2,3)16-9-11-19(12-10-16)33-15-21-27-28-23(29(21)17-7-5-4-6-8-17)34-22-20(25)13-18(14-26-22)30(31)32/h4-14H,15H2,1-3H3
InChIKey QSWQZSCOERSRQC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_4678
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: NMR/9290124; Labnumber: LP-2191113; IOH_ID: IOH-004679
Synonyms {5-[(3-bromo-5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl 4-tert-butylphenyl ether
Temperature 303 °C