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methyl 4-{(E)-[({[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoate
SpectraBase Compound ID VYmwmVUtkN
InChI InChI=1S/C25H19Cl2N5O3S/c1-35-24(34)18-4-2-16(3-5-18)14-28-29-22(33)15-36-25-31-30-23(17-6-8-19(26)9-7-17)32(25)21-12-10-20(27)11-13-21/h2-14H,15H2,1H3,(H,29,33)/b28-14+
InChIKey HDZJWRRHWAEVME-CCVNUDIWSA-N
Mol Weight 540.43 g/mol
Molecular Formula C25H19Cl2N5O3S
Exact Mass 539.058566 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5OIdQ1Lo57i
Name methyl 4-{(E)-[({[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoate
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/C25H19Cl2N5O3S/c1-35-24(34)18-4-2-16(3-5-18)14-28-29-22(33)15-36-25-31-30-23(17-6-8-19(26)9-7-17)32(25)21-12-10-20(27)11-13-21/h2-14H,15H2,1H3,(H,29,33)/b28-14+
InChIKey HDZJWRRHWAEVME-CCVNUDIWSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15310
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: C24872; Labnumber: UGRES-07818; SBI_ID: SBI-015313
Synonyms methyl 4-{[({[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoate
Temperature 318 °C