For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-{(E)-[({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-2,6-dimethoxyphenyl acetate

View entire compound with spectra: 2 NMR

4-{(E)-[({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-2,6-dimethoxyphenyl acetate
SpectraBase Compound ID EKnG2K8EbhC
InChI InChI=1S/C27H24ClN5O5S/c1-17(34)38-25-22(36-2)13-18(14-23(25)37-3)15-29-30-24(35)16-39-27-32-31-26(19-9-11-20(28)12-10-19)33(27)21-7-5-4-6-8-21/h4-15H,16H2,1-3H3,(H,30,35)/b29-15+
InChIKey FHVDQGDIYATOHH-WKULSOCRSA-N
Mol Weight 566.03 g/mol
Molecular Formula C27H24ClN5O5S
Exact Mass 565.118668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9wlXvyl7O05
Name 4-{(E)-[({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-2,6-dimethoxyphenyl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 565.118667762 u
Formula C27H24ClN5O5S
InChI InChI=1S/C27H24ClN5O5S/c1-17(34)38-25-22(36-2)13-18(14-23(25)37-3)15-29-30-24(35)16-39-27-32-31-26(19-9-11-20(28)12-10-19)33(27)21-7-5-4-6-8-21/h4-15H,16H2,1-3H3,(H,30,35)/b29-15+
InChIKey FHVDQGDIYATOHH-WKULSOCRSA-N
Molecular Weight 566.032 g/mol
SMILES N(\N=C\C1=CC(OC)=C(C(=C1)OC)OC(=O)C)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)Cl)C=1C=CC=CC1)=O