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2-{[4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-bromo-2-thienyl)methylidene]acetohydrazide
SpectraBase Compound ID 90m2YRE7pzy
InChI InChI=1S/C23H20BrN5O3S2/c1-31-17-7-3-15(4-8-17)22-27-28-23(29(22)16-5-9-18(32-2)10-6-16)33-14-21(30)26-25-13-19-11-12-20(24)34-19/h3-13H,14H2,1-2H3,(H,26,30)/b25-13+
InChIKey DQXSWSQXJFPJGA-DHRITJCHSA-N
Mol Weight 558.47 g/mol
Molecular Formula C23H20BrN5O3S2
Exact Mass 557.019095 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4BKjDlXTmxe
Name 2-{[4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-bromo-2-thienyl)methylidene]acetohydrazide
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/C23H20BrN5O3S2/c1-31-17-7-3-15(4-8-17)22-27-28-23(29(22)16-5-9-18(32-2)10-6-16)33-14-21(30)26-25-13-19-11-12-20(24)34-19/h3-13H,14H2,1-2H3,(H,26,30)/b25-13+
InChIKey DQXSWSQXJFPJGA-DHRITJCHSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16622
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: D23758; Labnumber: GRES-01480; SBI_ID: SBI-016625
Synonyms 2-{[4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(5-bromo-2-thienyl)methylidene]acetohydrazide
Temperature 315 °C