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4-((2E)-2-{4-[(4-tert-butylbenzoyl)oxy]benzylidene}hydrazino)benzoic acid
SpectraBase Compound ID TkwmC9rK0D
InChI InChI=1S/C25H24N2O4/c1-25(2,3)20-10-6-19(7-11-20)24(30)31-22-14-4-17(5-15-22)16-26-27-21-12-8-18(9-13-21)23(28)29/h4-16,27H,1-3H3,(H,28,29)/b26-16+
InChIKey NROGTONVSJQAHK-WGOQTCKBSA-N
Mol Weight 416.48 g/mol
Molecular Formula C25H24N2O4
Exact Mass 416.173607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID h2JaPEDWmn
Name 4-((2E)-2-{4-[(4-Tert-butylbenzoyl)oxy]benzylidene}hydrazino)benzoic acid
Comments Computed using HOSE algorithm
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Exact Mass 416.173607257 u
Formula C25H24N2O4
InChI InChI=1S/C25H24N2O4/c1-25(2,3)20-10-6-19(7-11-20)24(30)31-22-14-4-17(5-15-22)16-26-27-21-12-8-18(9-13-21)23(28)29/h4-16,27H,1-3H3,(H,28,29)/b26-16+
InChIKey NROGTONVSJQAHK-WGOQTCKBSA-N
Molecular Weight 416.477 g/mol
SMILES N(\N=C\C=1C=CC(OC(C=2C=CC(C(C)(C)C)=CC2)=O)=CC1)C1=CC=C(C(=O)O)C=C1