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3-(m-Chlorophenyl)-5-(p-methylbenzylidene)-2-thiohydantoin

View entire compound with spectra: 2 NMR, and 1 FTIR

3-(m-Chlorophenyl)-5-(p-methylbenzylidene)-2-thiohydantoin
SpectraBase Compound ID JAzvlXyDOJb
InChI InChI=1S/C17H13ClN2OS/c1-11-5-7-12(8-6-11)9-15-16(21)20(17(22)19-15)14-4-2-3-13(18)10-14/h2-10H,1H3,(H,19,22)
InChIKey QWBXZPYBUAPXPZ-UHFFFAOYSA-N
Mol Weight 328.82 g/mol
Molecular Formula C17H13ClN2OS
Exact Mass 328.043712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EiUfqfLjMCD
Name 3-(m-Chlorophenyl)-5-(p-methylbenzylidene)-2-thiohydantoin
Comments Computed using HOSE algorithm
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Exact Mass 328.043711920 u
Formula C17H13ClN2OS
InChI InChI=1S/C17H13ClN2OS/c1-11-5-7-12(8-6-11)9-15-16(21)20(17(22)19-15)14-4-2-3-13(18)10-14/h2-10H,1H3,(H,19,22)
InChIKey QWBXZPYBUAPXPZ-UHFFFAOYSA-N
Molecular Weight 328.817 g/mol
SMILES N1C(C(N(C1=S)C=1C=CC=C(C1)Cl)=O)=CC1=CC=C(C=C1)C