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3-(o-Chlorophenyl)-5-(o-methoxybenzylidene)-2-thiohydantoin

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

3-(o-Chlorophenyl)-5-(o-methoxybenzylidene)-2-thiohydantoin
SpectraBase Compound ID B8QtBBO8vLp
InChI InChI=1S/C17H13ClN2O2S/c1-22-15-9-5-2-6-11(15)10-13-16(21)20(17(23)19-13)14-8-4-3-7-12(14)18/h2-10H,1H3,(H,19,23)
InChIKey XCAREVJLFMGISP-UHFFFAOYSA-N
Mol Weight 344.82 g/mol
Molecular Formula C17H13ClN2O2S
Exact Mass 344.038627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GOCWSrVe8AZ
Name 3-(o-Chlorophenyl)-5-(o-methoxybenzylidene)-2-thiohydantoin
Comments Computed using HOSE algorithm
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Exact Mass 344.038626539 u
Formula C17H13ClN2O2S
InChI InChI=1S/C17H13ClN2O2S/c1-22-15-9-5-2-6-11(15)10-13-16(21)20(17(23)19-13)14-8-4-3-7-12(14)18/h2-10H,1H3,(H,19,23)
InChIKey XCAREVJLFMGISP-UHFFFAOYSA-N
Molecular Weight 344.816 g/mol
SMILES C=1(Cl)C(=CC=CC1)N1C(=O)C(NC1=S)=CC=1C=CC=CC1OC