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(5Z)-3-(2-bromophenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
SpectraBase Compound ID ArdDFDLIMWD
InChI InChI=1S/C18H14BrNO3S2/c1-22-12-7-8-15(23-2)11(9-12)10-16-17(21)20(18(24)25-16)14-6-4-3-5-13(14)19/h3-10H,1-2H3/b16-10-
InChIKey BCFUKMGROKHOFV-YBEGLDIGSA-N
Mol Weight 436.34 g/mol
Molecular Formula C18H14BrNO3S2
Exact Mass 434.959849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWnUnGZrCTB
Name (5Z)-3-(2-Bromophenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Comments Computed using HOSE algorithm
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Exact Mass 434.959848660 u
Formula C18H14BrNO3S2
InChI InChI=1S/C18H14BrNO3S2/c1-22-12-7-8-15(23-2)11(9-12)10-16-17(21)20(18(24)25-16)14-6-4-3-5-13(14)19/h3-10H,1-2H3/b16-10-
InChIKey BCFUKMGROKHOFV-YBEGLDIGSA-N
Molecular Weight 436.338 g/mol
SMILES C1=CC=C(N2C(S\C(C2=O)=C\C2=C(C=CC(=C2)OC)OC)=S)C(Br)=C1