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(Z)-Methyl-2-[(Z)-2-(4-methoxybenzoylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]-acetate
SpectraBase Compound ID 7RI3GbJEQq
InChI InChI=1S/C20H16N2O5S/c1-26-15-10-8-13(9-11-15)18(24)21-20-22(14-6-4-3-5-7-14)19(25)16(28-20)12-17(23)27-2/h3-12H,1-2H3/b16-12-,21-20-
InChIKey BYXIEHVJLCPJBX-BASNBYKJSA-N
Mol Weight 396.42 g/mol
Molecular Formula C20H16N2O5S
Exact Mass 396.077993 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4bPoNs4R0Kn
Name (Z)-Methyl-2-[(Z)-2-(4-methoxybenzoylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]-acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.077992792 u
Formula C20H16N2O5S
InChI InChI=1S/C20H16N2O5S/c1-26-15-10-8-13(9-11-15)18(24)21-20-22(14-6-4-3-5-7-14)19(25)16(28-20)12-17(23)27-2/h3-12H,1-2H3/b16-12-,21-20-
InChIKey BYXIEHVJLCPJBX-BASNBYKJSA-N
Molecular Weight 396.417 g/mol
SMILES C(\C=C\1C(N(\C(S1)=N\C(C=1C=CC(=CC1)OC)=O)C=1C=CC=CC1)=O)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944991