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3-thiazolidinepropanamide, N-(3-fluorophenyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-, (5E)-
SpectraBase Compound ID AgwlBJ11jww
InChI InChI=1S/C17H13FN2O2S3/c18-11-3-1-4-12(9-11)19-15(21)6-7-20-16(22)14(25-17(20)23)10-13-5-2-8-24-13/h1-5,8-10H,6-7H2,(H,19,21)/b14-10+
InChIKey KNADWSZCKSJSLN-GXDHUFHOSA-N
Mol Weight 392.48 g/mol
Molecular Formula C17H13FN2O2S3
Exact Mass 392.012319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4KzRpoIwAAN
Name 3-Thiazolidinepropanamide, N-(3-fluorophenyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-, (5E)-
Comments Computed using HOSE algorithm
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Exact Mass 392.012319350 u
Formula C17H13FN2O2S3
InChI InChI=1S/C17H13FN2O2S3/c18-11-3-1-4-12(9-11)19-15(21)6-7-20-16(22)14(25-17(20)23)10-13-5-2-8-24-13/h1-5,8-10H,6-7H2,(H,19,21)/b14-10+
InChIKey KNADWSZCKSJSLN-GXDHUFHOSA-N
Molecular Weight 392.481 g/mol
SMILES N(C(CCN1C(S\C(C1=O)=C/C=1SC=CC1)=S)=O)C1=CC(F)=CC=C1