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[4'-(Phenylazo)phenacyl] N-{[2,2-bis(ethoxycarbonyl)vinylamino][2'-(4''-hydroxyphenyl)ethyl}carboxylate
SpectraBase Compound ID 20nHC49MFdA
InChI InChI=1S/C31H31N3O8/c1-3-40-29(37)25(30(38)41-4-2)20-32-26(19-21-15-17-24(35)18-16-21)31(39)42-28(27(36)22-11-7-5-8-12-22)34-33-23-13-9-6-10-14-23/h5-18,20,26,28,32,35H,3-4,19H2,1-2H3/b34-33+
InChIKey NZSJBUXZUZALSU-JEIPZWNWSA-N
Mol Weight 573.6 g/mol
Molecular Formula C31H31N3O8
Exact Mass 573.211115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gyqz66rp3DX
Name [4'-(Phenylazo)phenacyl] N-{[2,2-bis(ethoxycarbonyl)vinylamino][2'-(4''-hydroxyphenyl)ethyl}carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 573.211114962 u
Formula C31H31N3O8
InChI InChI=1S/C31H31N3O8/c1-3-40-29(37)25(30(38)41-4-2)20-32-26(19-21-15-17-24(35)18-16-21)31(39)42-28(27(36)22-11-7-5-8-12-22)34-33-23-13-9-6-10-14-23/h5-18,20,26,28,32,35H,3-4,19H2,1-2H3/b34-33+
InChIKey NZSJBUXZUZALSU-JEIPZWNWSA-N
Molecular Weight 573.602 g/mol
SMILES C(=CNC(C(OC(\N=N\C=1C=CC=CC1)C(=O)C=1C=CC=CC1)=O)CC1=CC=C(C=C1)O)(C(=O)OCC)C(=O)OCC