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(5E)-5-[4-(benzyloxy)benzylidene]-3-isopropyl-2-thioxo-1,3-thiazolidin-4-one
SpectraBase Compound ID ECFPtkErv2z
InChI InChI=1S/C20H19NO2S2/c1-14(2)21-19(22)18(25-20(21)24)12-15-8-10-17(11-9-15)23-13-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3/b18-12+
InChIKey SIOMMXQUFZFKNO-LDADJPATSA-N
Mol Weight 369.5 g/mol
Molecular Formula C20H19NO2S2
Exact Mass 369.085721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQHbeSmZwAo
Name (5E)-5-[4-(Benzyloxy)benzylidene]-3-isopropyl-2-thioxo-1,3-thiazolidin-4-one
Comments Computed using HOSE algorithm
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Exact Mass 369.085721202 u
Formula C20H19NO2S2
InChI InChI=1S/C20H19NO2S2/c1-14(2)21-19(22)18(25-20(21)24)12-15-8-10-17(11-9-15)23-13-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3/b18-12+
InChIKey SIOMMXQUFZFKNO-LDADJPATSA-N
Molecular Weight 369.497 g/mol
SMILES C1=CC=C(COC2=CC=C(\C=C/3C(N(C(S3)=S)C(C)C)=O)C=C2)C=C1