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Benzamide, 4-[(4-nitrophenyl)azo]-N-pentyl-N-(phenylmethyl)-
SpectraBase Compound ID 4Gf25bKMG78
InChI InChI=1S/C25H26N4O3/c1-2-3-7-18-28(19-20-8-5-4-6-9-20)25(30)21-10-12-22(13-11-21)26-27-23-14-16-24(17-15-23)29(31)32/h4-6,8-17H,2-3,7,18-19H2,1H3/b27-26+
InChIKey XGRHACJYEYCXAR-CYYJNZCTSA-N
Mol Weight 430.51 g/mol
Molecular Formula C25H26N4O3
Exact Mass 430.200491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I1wIuh2mr6e
Name Benzamide, 4-[(4-nitrophenyl)azo]-N-pentyl-N-(phenylmethyl)-
Comments Computed using HOSE algorithm
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Exact Mass 430.200490710 u
Formula C25H26N4O3
InChI InChI=1S/C25H26N4O3/c1-2-3-7-18-28(19-20-8-5-4-6-9-20)25(30)21-10-12-22(13-11-21)26-27-23-14-16-24(17-15-23)29(31)32/h4-6,8-17H,2-3,7,18-19H2,1H3/b27-26+
InChIKey XGRHACJYEYCXAR-CYYJNZCTSA-N
Molecular Weight 430.508 g/mol
SMILES C1(N(=O)=O)=CC=C(\N=N\C2=CC=C(C(N(CC=3C=CC=CC3)CCCCC)=O)C=C2)C=C1