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4-{(E)-[({[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-2,6-dimethoxyphenyl acetate
SpectraBase Compound ID 4nukpcTOOFO
InChI InChI=1S/C28H26ClN5O6S/c1-17(35)40-26-23(38-3)13-18(14-24(26)39-4)15-30-31-25(36)16-41-28-33-32-27(19-5-11-22(37-2)12-6-19)34(28)21-9-7-20(29)8-10-21/h5-15H,16H2,1-4H3,(H,31,36)/b30-15+
InChIKey RIWBMFKITOHORC-FJEPWZHXSA-N
Mol Weight 596.06 g/mol
Molecular Formula C28H26ClN5O6S
Exact Mass 595.129232 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kd0ZKykPNER
Name 4-{(E)-[({[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-2,6-dimethoxyphenyl acetate
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/C28H26ClN5O6S/c1-17(35)40-26-23(38-3)13-18(14-24(26)39-4)15-30-31-25(36)16-41-28-33-32-27(19-5-11-22(37-2)12-6-19)34(28)21-9-7-20(29)8-10-21/h5-15H,16H2,1-4H3,(H,31,36)/b30-15+
InChIKey RIWBMFKITOHORC-FJEPWZHXSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16631
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: D23781; Labnumber: GRES-01503; SBI_ID: SBI-016634
Synonyms 4-{[({[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-2,6-dimethoxyphenyl acetate
Temperature 315 °C