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(4Z)-4-{3-[(3-chlorobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one
SpectraBase Compound ID 2g5ZbT6cxVp
InChI InChI=1S/C21H14ClNO3S/c22-16-6-1-5-15(10-16)13-25-17-7-2-4-14(11-17)12-18-21(24)26-20(23-18)19-8-3-9-27-19/h1-12H,13H2/b18-12-
InChIKey PRXOVMASUMSVPJ-PDGQHHTCSA-N
Mol Weight 395.86 g/mol
Molecular Formula C21H14ClNO3S
Exact Mass 395.038292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KNjSjyGpjYt
Name (4Z)-4-{3-[(3-Chlorobenzyl)oxy]benzylidene}-2-(2-thienyl)-1,3-oxazol-5(4H)-one
Comments Computed using HOSE algorithm
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Exact Mass 395.038292186 u
Formula C21H14ClNO3S
InChI InChI=1S/C21H14ClNO3S/c22-16-6-1-5-15(10-16)13-25-17-7-2-4-14(11-17)12-18-21(24)26-20(23-18)19-8-3-9-27-19/h1-12H,13H2/b18-12-
InChIKey PRXOVMASUMSVPJ-PDGQHHTCSA-N
Molecular Weight 395.860 g/mol
SMILES C1(=N\C(=C/C2=CC(OCC3=CC(Cl)=CC=C3)=CC=C2)C(O1)=O)C=1SC=CC1