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ethyl 3-{[hydroxy(diphenyl)acetyl]amino}-1H-indole-2-carboxylate
SpectraBase Compound ID IKodOP2IDIU
InChI InChI=1S/C25H22N2O4/c1-2-31-23(28)22-21(19-15-9-10-16-20(19)26-22)27-24(29)25(30,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,26,30H,2H2,1H3,(H,27,29)
InChIKey IECVRBZZOJKOCW-UHFFFAOYSA-N
Mol Weight 414.46 g/mol
Molecular Formula C25H22N2O4
Exact Mass 414.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6h4AUkvbrme
Name Ethyl 3-{[hydroxy(diphenyl)acetyl]amino}-1H-indole-2-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 414.157957192 u
Formula C25H22N2O4
InChI InChI=1S/C25H22N2O4/c1-2-31-23(28)22-21(19-15-9-10-16-20(19)26-22)27-24(29)25(30,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,26,30H,2H2,1H3,(H,27,29)
InChIKey IECVRBZZOJKOCW-UHFFFAOYSA-N
Molecular Weight 414.461 g/mol
SMILES N(C(C(C1=CC=CC=C1)(C1=CC=CC=C1)O)=O)C1=C(NC2=CC=CC=C12)C(=O)OCC