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3-Phenyl-2-(phenylimino)-5-piperonylidene-4-thiazolidinone
SpectraBase Compound ID GdqPfEXWMA1
InChI InChI=1S/C23H16N2O3S/c26-22-21(14-16-11-12-19-20(13-16)28-15-27-19)29-23(24-17-7-3-1-4-8-17)25(22)18-9-5-2-6-10-18/h1-14H,15H2/b21-14?,24-23-
InChIKey OYLOYUKNSMPYKK-YLSRMXAHSA-N
Mol Weight 400.45 g/mol
Molecular Formula C23H16N2O3S
Exact Mass 400.088164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4W5mv42EsmL
Name 3-Phenyl-2-(phenylimino)-5-piperonylidene-4-thiazolidinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.088163554 u
Formula C23H16N2O3S
InChI InChI=1S/C23H16N2O3S/c26-22-21(14-16-11-12-19-20(13-16)28-15-27-19)29-23(24-17-7-3-1-4-8-17)25(22)18-9-5-2-6-10-18/h1-14H,15H2/b21-14?,24-23-
InChIKey OYLOYUKNSMPYKK-YLSRMXAHSA-N
Molecular Weight 400.452 g/mol
SMILES C1=C(C=C2OCOC2=C1)C=C1C(N(\C(S1)=N\C=1C=CC=CC1)C=1C=CC=CC1)=O