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2-(2-Nitrophenyl)-3-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one
SpectraBase Compound ID FuL6LU7eLjv
InChI InChI=1S/C16H13N3O5S/c20-15-10-25-16(12-6-2-4-8-14(12)19(23)24)17(15)9-11-5-1-3-7-13(11)18(21)22/h1-8,16H,9-10H2
InChIKey MQDOTYQWKDKEAW-UHFFFAOYSA-N
Mol Weight 359.36 g/mol
Molecular Formula C16H13N3O5S
Exact Mass 359.057592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ArSbkW9mt6e
Name 2-(2-Nitrophenyl)-3-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one
Comments Computed using HOSE algorithm
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Exact Mass 359.057591700 u
Formula C16H13N3O5S
InChI InChI=1S/C16H13N3O5S/c20-15-10-25-16(12-6-2-4-8-14(12)19(23)24)17(15)9-11-5-1-3-7-13(11)18(21)22/h1-8,16H,9-10H2
InChIKey MQDOTYQWKDKEAW-UHFFFAOYSA-N
Molecular Weight 359.356 g/mol
SMILES C1(SCC(N1CC=1C(=CC=CC1)N(=O)=O)=O)C=1C(=CC=CC1)N(=O)=O