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(5Z)-5-{3-bromo-4-[(4-chlorobenzyl)oxy]benzylidene}-2-imino-1,3-thiazolidin-4-one
SpectraBase Compound ID ICMPjn3BcTj
InChI InChI=1S/C17H12BrClN2O2S/c18-13-7-11(8-15-16(22)21-17(20)24-15)3-6-14(13)23-9-10-1-4-12(19)5-2-10/h1-8H,9H2,(H2,20,21,22)/b15-8-
InChIKey UTOMIBKUZNKCQR-NVNXTCNLSA-N
Mol Weight 423.71 g/mol
Molecular Formula C17H12BrClN2O2S
Exact Mass 421.94914 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8R13CDB6EW3
Name (5Z)-5-{3-Bromo-4-[(4-chlorobenzyl)oxy]benzylidene}-2-imino-1,3-thiazolidin-4-one
Comments Computed using HOSE algorithm
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Exact Mass 421.949139506 u
Formula C17H12BrClN2O2S
InChI InChI=1S/C17H12BrClN2O2S/c18-13-7-11(8-15-16(22)21-17(20)24-15)3-6-14(13)23-9-10-1-4-12(19)5-2-10/h1-8H,9H2,(H2,20,21,22)/b15-8-
InChIKey UTOMIBKUZNKCQR-NVNXTCNLSA-N
Molecular Weight 423.712 g/mol
SMILES N1C(\C(SC1=N)=C\C1=CC(=C(OCC=2C=CC(Cl)=CC2)C=C1)Br)=O