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N-{(5Z)-5-[4-(benzyloxy)-3-ethoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
SpectraBase Compound ID CcbkvSXS1dn
InChI InChI=1S/C26H22N2O4S2/c1-2-31-22-15-19(13-14-21(22)32-17-18-9-5-3-6-10-18)16-23-25(30)28(26(33)34-23)27-24(29)20-11-7-4-8-12-20/h3-16H,2,17H2,1H3,(H,27,29)/b23-16-
InChIKey YMCAIAPIANJDPU-KQWNVCNZSA-N
Mol Weight 490.59 g/mol
Molecular Formula C26H22N2O4S2
Exact Mass 490.1021 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EgFPSWuq8uF
Name N-{(5Z)-5-[4-(Benzyloxy)-3-ethoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.102099540 u
Formula C26H22N2O4S2
InChI InChI=1S/C26H22N2O4S2/c1-2-31-22-15-19(13-14-21(22)32-17-18-9-5-3-6-10-18)16-23-25(30)28(26(33)34-23)27-24(29)20-11-7-4-8-12-20/h3-16H,2,17H2,1H3,(H,27,29)/b23-16-
InChIKey YMCAIAPIANJDPU-KQWNVCNZSA-N
Molecular Weight 490.592 g/mol
SMILES N(N1C(\C(=C\C2=CC(OCC)=C(C=C2)OCC2=CC=CC=C2)SC1=S)=O)C(=O)C1=CC=CC=C1