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2-(3-Indolyl)-4-[(2-nitrobenzoyl)hydrazono]-4-phenylbutyric acid
SpectraBase Compound ID 64Qeu7cZHzh
InChI InChI=1S/C25H20N4O5/c30-24(18-11-5-7-13-23(18)29(33)34)28-27-22(16-8-2-1-3-9-16)14-19(25(31)32)20-15-26-21-12-6-4-10-17(20)21/h1-13,15,19,26H,14H2,(H,28,30)(H,31,32)/b27-22-
InChIKey GDHBCFBQFKUSOS-QYQHSDTDSA-N
Mol Weight 456.46 g/mol
Molecular Formula C25H20N4O5
Exact Mass 456.14337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4dtDXURyihU
Name 2-(3-Indolyl)-4-[(2-nitrobenzoyl)hydrazono]-4-phenylbutyric acid
Comments Computed using HOSE algorithm
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Exact Mass 456.143369755 u
Formula C25H20N4O5
InChI InChI=1S/C25H20N4O5/c30-24(18-11-5-7-13-23(18)29(33)34)28-27-22(16-8-2-1-3-9-16)14-19(25(31)32)20-15-26-21-12-6-4-10-17(20)21/h1-13,15,19,26H,14H2,(H,28,30)(H,31,32)/b27-22-
InChIKey GDHBCFBQFKUSOS-QYQHSDTDSA-N
Molecular Weight 456.458 g/mol
SMILES C1(=CNC2=C1C=CC=C2)C(C\C(=N\NC(C1=C(C=CC=C1)N(=O)=O)=O)C1=CC=CC=C1)C(=O)O