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(5Z)-5-{3-[(4-bromobenzyl)oxy]benzylidene}-2-thioxo-1,3-thiazolidin-4-one
SpectraBase Compound ID DXABDAO1IJG
InChI InChI=1S/C17H12BrNO2S2/c18-13-6-4-11(5-7-13)10-21-14-3-1-2-12(8-14)9-15-16(20)19-17(22)23-15/h1-9H,10H2,(H,19,20,22)/b15-9-
InChIKey TUIARLAKNVBMSU-DHDCSXOGSA-N
Mol Weight 406.31 g/mol
Molecular Formula C17H12BrNO2S2
Exact Mass 404.949284 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5kWkpgyOySJ
Name (5Z)-5-{3-[(4-Bromobenzyl)oxy]benzylidene}-2-thioxo-1,3-thiazolidin-4-one
Comments Computed using HOSE algorithm
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Exact Mass 404.949283976 u
Formula C17H12BrNO2S2
InChI InChI=1S/C17H12BrNO2S2/c18-13-6-4-11(5-7-13)10-21-14-3-1-2-12(8-14)9-15-16(20)19-17(22)23-15/h1-9H,10H2,(H,19,20,22)/b15-9-
InChIKey TUIARLAKNVBMSU-DHDCSXOGSA-N
Molecular Weight 406.312 g/mol
SMILES N1C(\C(SC1=S)=C\C1=CC(OCC=2C=CC(=CC2)Br)=CC=C1)=O