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4-((2E)-2-{4-[(4-tert-butylbenzoyl)oxy]-3-ethoxybenzylidene}hydrazino)benzoic acid

View entire compound with spectra: 2 NMR

4-((2E)-2-{4-[(4-tert-butylbenzoyl)oxy]-3-ethoxybenzylidene}hydrazino)benzoic acid
SpectraBase Compound ID GS7ax0DPR9Z
InChI InChI=1S/C27H28N2O5/c1-5-33-24-16-18(17-28-29-22-13-9-19(10-14-22)25(30)31)6-15-23(24)34-26(32)20-7-11-21(12-8-20)27(2,3)4/h6-17,29H,5H2,1-4H3,(H,30,31)/b28-17+
InChIKey NJFNNUHNOFZZSH-OGLMXYFKSA-N
Mol Weight 460.53 g/mol
Molecular Formula C27H28N2O5
Exact Mass 460.199822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXzeJQaPm4Z
Name 4-((2E)-2-{4-[(4-Tert-butylbenzoyl)oxy]-3-ethoxybenzylidene}hydrazino)benzoic acid
Comments Computed using HOSE algorithm
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Exact Mass 460.199822005 u
Formula C27H28N2O5
InChI InChI=1S/C27H28N2O5/c1-5-33-24-16-18(17-28-29-22-13-9-19(10-14-22)25(30)31)6-15-23(24)34-26(32)20-7-11-21(12-8-20)27(2,3)4/h6-17,29H,5H2,1-4H3,(H,30,31)/b28-17+
InChIKey NJFNNUHNOFZZSH-OGLMXYFKSA-N
Molecular Weight 460.530 g/mol
SMILES N(\N=C\C1=CC=C(OC(C=2C=CC(C(C)(C)C)=CC2)=O)C(=C1)OCC)C=1C=CC(C(=O)O)=CC1