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N-Phenyl-N-bis(5-oxo-2-phenyl-4,5-dihydrooxazol-4-ylmethylene)amine
SpectraBase Compound ID CIreT1yUTNJ
InChI InChI=1S/C26H17N3O4/c30-25-21(27-23(32-25)18-10-4-1-5-11-18)16-29(20-14-8-3-9-15-20)17-22-26(31)33-24(28-22)19-12-6-2-7-13-19/h1-17H/b21-16-,22-17-
InChIKey KGLCTNWEUIITSM-QLBLWQCWSA-N
Mol Weight 435.44 g/mol
Molecular Formula C26H17N3O4
Exact Mass 435.121906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DI5LYbOnGH0
Name N-Phenyl-N-bis(5-oxo-2-phenyl-4,5-dihydrooxazol-4-ylmethylene)amine
Comments Computed using HOSE algorithm
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Exact Mass 435.121906035 u
Formula C26H17N3O4
InChI InChI=1S/C26H17N3O4/c30-25-21(27-23(32-25)18-10-4-1-5-11-18)16-29(20-14-8-3-9-15-20)17-22-26(31)33-24(28-22)19-12-6-2-7-13-19/h1-17H/b21-16-,22-17-
InChIKey KGLCTNWEUIITSM-QLBLWQCWSA-N
Molecular Weight 435.439 g/mol
SMILES C1(=N\C(C(O1)=O)=C\N(\C=C\1N=C(C2=CC=CC=C2)OC1=O)C1=CC=CC=C1)C1=CC=CC=C1