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4-(4-Chloro-2,5-dimethoxyphenyl)-1-(2,3-dimethoxybenzylidene)-3-thiosemicarbazide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

4-(4-Chloro-2,5-dimethoxyphenyl)-1-(2,3-dimethoxybenzylidene)-3-thiosemicarbazide
SpectraBase Compound ID 9XBcM33oLnG
InChI InChI=1S/C18H20ClN3O4S/c1-23-14-7-5-6-11(17(14)26-4)10-20-22-18(27)21-13-9-15(24-2)12(19)8-16(13)25-3/h5-10H,1-4H3,(H2,21,22,27)/b20-10+
InChIKey UKZUJKACUQHZIZ-KEBDBYFISA-N
Mol Weight 409.89 g/mol
Molecular Formula C18H20ClN3O4S
Exact Mass 409.086305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7KERb8R4kgd
Name 4-(4-Chloro-2,5-dimethoxyphenyl)-1-(2,3-dimethoxybenzylidene)-3-thiosemicarbazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.086305006 u
Formula C18H20ClN3O4S
InChI InChI=1S/C18H20ClN3O4S/c1-23-14-7-5-6-11(17(14)26-4)10-20-22-18(27)21-13-9-15(24-2)12(19)8-16(13)25-3/h5-10H,1-4H3,(H2,21,22,27)/b20-10+
InChIKey UKZUJKACUQHZIZ-KEBDBYFISA-N
Molecular Weight 409.888 g/mol
SMILES N(\N=C\C1=C(C(=CC=C1)OC)OC)C(NC=1C(=CC(=C(C1)OC)Cl)OC)=S