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3-(o-Anisidinomethyl)-5-(3-fluorobenzylidene)-2,4-thiazolidinedione

View entire compound with spectra: 1 NMR, and 2 MS (GC)

3-(o-Anisidinomethyl)-5-(3-fluorobenzylidene)-2,4-thiazolidinedione
SpectraBase Compound ID BI9n0Glvc0M
InChI InChI=1S/C18H15FN2O3S/c1-24-15-8-3-2-7-14(15)20-11-21-17(22)16(25-18(21)23)10-12-5-4-6-13(19)9-12/h2-10,20H,11H2,1H3/b16-10+
InChIKey JUGUKIYABPPZCP-MHWRWJLKSA-N
Mol Weight 358.39 g/mol
Molecular Formula C18H15FN2O3S
Exact Mass 358.078742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IogrfqzWnKC
Name 3-(o-Anisidinomethyl)-5-(3-fluorobenzylidene)-2,4-thiazolidinedione
Comments Computed using HOSE algorithm
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Exact Mass 358.078741685 u
Formula C18H15FN2O3S
InChI InChI=1S/C18H15FN2O3S/c1-24-15-8-3-2-7-14(15)20-11-21-17(22)16(25-18(21)23)10-12-5-4-6-13(19)9-12/h2-10,20H,11H2,1H3/b16-10+
InChIKey JUGUKIYABPPZCP-MHWRWJLKSA-N
Molecular Weight 358.387 g/mol
SMILES C1(S\C(=C\C2=CC(=CC=C2)F)C(N1CNC1=CC=CC=C1OC)=O)=O