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2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide

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2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID KVfVcX94XiY
InChI InChI=1S/C27H26ClN5O4S/c1-17-5-11-21(12-6-17)33-26(19-7-9-20(28)10-8-19)31-32-27(33)38-16-24(34)30-29-15-18-13-22(35-2)25(37-4)23(14-18)36-3/h5-15H,16H2,1-4H3,(H,30,34)/b29-15+
InChIKey SAFXAHBKVCAMEG-WKULSOCRSA-N
Mol Weight 552.05 g/mol
Molecular Formula C27H26ClN5O4S
Exact Mass 551.139403 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EG7Dh8kbyV2
Name 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)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/C27H26ClN5O4S/c1-17-5-11-21(12-6-17)33-26(19-7-9-20(28)10-8-19)31-32-27(33)38-16-24(34)30-29-15-18-13-22(35-2)25(37-4)23(14-18)36-3/h5-15H,16H2,1-4H3,(H,30,34)/b29-15+
InChIKey SAFXAHBKVCAMEG-WKULSOCRSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3627
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: D13045; Labnumber: GRES-01104; SBI_ID: SBI-003629
Synonyms 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Temperature 315 °C