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

View entire compound with spectra: 2 NMR

4-((2E)-2-{4-[(4-tert-butylbenzoyl)oxy]-3-methoxybenzylidene}hydrazino)benzoic acid
SpectraBase Compound ID B61zssch8a0
InChI InChI=1S/C26H26N2O5/c1-26(2,3)20-10-6-19(7-11-20)25(31)33-22-14-5-17(15-23(22)32-4)16-27-28-21-12-8-18(9-13-21)24(29)30/h5-16,28H,1-4H3,(H,29,30)/b27-16+
InChIKey ZTZNHFCQSNIKHH-JVWAILMASA-N
Mol Weight 446.5 g/mol
Molecular Formula C26H26N2O5
Exact Mass 446.184172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4qiMwzYfrVC
Name 4-((2E)-2-{4-[(4-Tert-butylbenzoyl)oxy]-3-methoxybenzylidene}hydrazino)benzoic acid
Comments Computed using HOSE algorithm
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Exact Mass 446.184171940 u
Formula C26H26N2O5
InChI InChI=1S/C26H26N2O5/c1-26(2,3)20-10-6-19(7-11-20)25(31)33-22-14-5-17(15-23(22)32-4)16-27-28-21-12-8-18(9-13-21)24(29)30/h5-16,28H,1-4H3,(H,29,30)/b27-16+
InChIKey ZTZNHFCQSNIKHH-JVWAILMASA-N
Molecular Weight 446.503 g/mol
SMILES N(\N=C\C1=CC=C(OC(C=2C=CC(C(C)(C)C)=CC2)=O)C(=C1)OC)C=1C=CC(C(=O)O)=CC1