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benzoic acid, 2-[(2-fluorobenzoyl)amino]-, 2-[(E)-(5-methyl-2-thienyl)methylidene]hydrazide
SpectraBase Compound ID 89mthJDSbWV
InChI InChI=1S/C20H16FN3O2S/c1-13-10-11-14(27-13)12-22-24-20(26)16-7-3-5-9-18(16)23-19(25)15-6-2-4-8-17(15)21/h2-12H,1H3,(H,23,25)(H,24,26)/b22-12+
InChIKey PUTGWRAYJSVKDC-WSDLNYQXSA-N
Mol Weight 381.43 g/mol
Molecular Formula C20H16FN3O2S
Exact Mass 381.094726 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ECOnh6m53oc
Name Benzoic acid, 2-[(2-fluorobenzoyl)amino]-, 2-[(E)-(5-methyl-2-thienyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 381.094726102 u
Formula C20H16FN3O2S
InChI InChI=1S/C20H16FN3O2S/c1-13-10-11-14(27-13)12-22-24-20(26)16-7-3-5-9-18(16)23-19(25)15-6-2-4-8-17(15)21/h2-12H,1H3,(H,23,25)(H,24,26)/b22-12+
InChIKey PUTGWRAYJSVKDC-WSDLNYQXSA-N
Molecular Weight 381.425 g/mol
SMILES N(C(C1=C(F)C=CC=C1)=O)C1=C(C(N\N=C\C=2SC(C)=CC2)=O)C=CC=C1