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N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
SpectraBase Compound ID KoEinarx41a
InChI InChI=1S/C25H21BrClN5O3S/c1-2-35-21-10-8-20(9-11-21)32-24(16-3-6-19(27)7-4-16)30-31-25(32)36-15-23(34)29-28-14-17-13-18(26)5-12-22(17)33/h3-14,33H,2,15H2,1H3,(H,29,34)/b28-14+
InChIKey RTDYHQWPBUCMSJ-CCVNUDIWSA-N
Mol Weight 586.89 g/mol
Molecular Formula C25H21BrClN5O3S
Exact Mass 585.023701 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2LpJjRyMMmq
Name N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C25H21BrClN5O3S/c1-2-35-21-10-8-20(9-11-21)32-24(16-3-6-19(27)7-4-16)30-31-25(32)36-15-23(34)29-28-14-17-13-18(26)5-12-22(17)33/h3-14,33H,2,15H2,1H3,(H,29,34)/b28-14+
InChIKey RTDYHQWPBUCMSJ-CCVNUDIWSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6661
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: D23846; Labnumber: GRES-01570; SBI_ID: SBI-006664
Synonyms N'-[(5-bromo-2-hydroxyphenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Temperature 308 °C