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4-[(Z)-(2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]phenyl benzoate
SpectraBase Compound ID 87XI9zrRUHC
InChI InChI=1S/C23H14ClNO4/c24-19-9-5-4-8-18(19)21-25-20(23(27)29-21)14-15-10-12-17(13-11-15)28-22(26)16-6-2-1-3-7-16/h1-14H/b20-14-
InChIKey VUJWEHGWFJJMBB-ZHZULCJRSA-N
Mol Weight 403.82 g/mol
Molecular Formula C23H14ClNO4
Exact Mass 403.061136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID dTSlcDwIN
Name 4-[(Z)-(2-(2-Chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]phenyl benzoate
Comments Computed using HOSE algorithm
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Exact Mass 403.061135631 u
Formula C23H14ClNO4
InChI InChI=1S/C23H14ClNO4/c24-19-9-5-4-8-18(19)21-25-20(23(27)29-21)14-15-10-12-17(13-11-15)28-22(26)16-6-2-1-3-7-16/h1-14H/b20-14-
InChIKey VUJWEHGWFJJMBB-ZHZULCJRSA-N
Molecular Weight 403.821 g/mol
SMILES C1(=N\C(=C/C=2C=CC(OC(=O)C3=CC=CC=C3)=CC2)C(O1)=O)C=1C(Cl)=CC=CC1