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(5Z)-5-[(5-methyl-2-furyl)methylene]-3-phenyl-2-thioxo-4-imidazolidinone
SpectraBase Compound ID HeoEqAti9Ai
InChI InChI=1S/C15H12N2O2S/c1-10-7-8-12(19-10)9-13-14(18)17(15(20)16-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,20)/b13-9-
InChIKey PFRJPCCUGRBBPF-LCYFTJDESA-N
Mol Weight 284.33 g/mol
Molecular Formula C15H12N2O2S
Exact Mass 284.061949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQU82gjz2lS
Name (5Z)-5-[(5-Methyl-2-furyl)methylene]-3-phenyl-2-thioxo-4-imidazolidinone
Comments Computed using HOSE algorithm
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Exact Mass 284.061948806 u
Formula C15H12N2O2S
InChI InChI=1S/C15H12N2O2S/c1-10-7-8-12(19-10)9-13-14(18)17(15(20)16-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,20)/b13-9-
InChIKey PFRJPCCUGRBBPF-LCYFTJDESA-N
Molecular Weight 284.333 g/mol
SMILES N1\C(C(N(C1=S)C=1C=CC=CC1)=O)=C/C=1OC(C)=CC1