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(5Z)-5-(3-fluorobenzylidene)-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one
SpectraBase Compound ID JhIiOFA0X6S
InChI InChI=1S/C18H14FNOS2/c19-15-8-4-7-14(11-15)12-16-17(21)20(18(22)23-16)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2/b16-12-
InChIKey BWPDXDKPVUHCEO-VBKFSLOCSA-N
Mol Weight 343.43 g/mol
Molecular Formula C18H14FNOS2
Exact Mass 343.050085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1b7Wx92SCI2
Name (5Z)-5-(3-Fluorobenzylidene)-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one
Comments Computed using HOSE algorithm
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Exact Mass 343.050084585 u
Formula C18H14FNOS2
InChI InChI=1S/C18H14FNOS2/c19-15-8-4-7-14(11-15)12-16-17(21)20(18(22)23-16)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2/b16-12-
InChIKey BWPDXDKPVUHCEO-VBKFSLOCSA-N
Molecular Weight 343.434 g/mol
SMILES C1=CC=C(CCN2C(S\C(C2=O)=C\C=2C=C(F)C=CC2)=S)C=C1