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4-chlorobenzaldehyde [(2E)-5-ethyl-3-(4-methoxybenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
SpectraBase Compound ID 3YLUQNBZizz
InChI InChI=1S/C20H20ClN3O2S/c1-3-18-19(25)24(13-15-6-10-17(26-2)11-7-15)20(27-18)23-22-12-14-4-8-16(21)9-5-14/h4-12,18H,3,13H2,1-2H3/b22-12+,23-20+
InChIKey AETFSMINIPKYHT-SAMFAILSSA-N
Mol Weight 401.91 g/mol
Molecular Formula C20H20ClN3O2S
Exact Mass 401.096476 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GOv4WffMD3p
Name 4-Chlorobenzaldehyde [(2E)-5-ethyl-3-(4-methoxybenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.096475768 u
Formula C20H20ClN3O2S
InChI InChI=1S/C20H20ClN3O2S/c1-3-18-19(25)24(13-15-6-10-17(26-2)11-7-15)20(27-18)23-22-12-14-4-8-16(21)9-5-14/h4-12,18H,3,13H2,1-2H3/b22-12+,23-20+
InChIKey AETFSMINIPKYHT-SAMFAILSSA-N
Molecular Weight 401.912 g/mol
SMILES CCC1C(N(\C(S1)=N/N=C/C1=CC=C(C=C1)Cl)CC1=CC=C(C=C1)OC)=O