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[4'-(Phenylazo)phenacyl] N-{[2,2-bis(ethoxycarbonyl)vinylamino][2'-phenylethyl}carboxylate
SpectraBase Compound ID KGxcBcJQfwd
InChI InChI=1S/C31H31N3O7/c1-3-39-29(36)26(30(37)40-4-2)20-32-27(19-22-11-7-5-8-12-22)31(38)41-21-28(35)23-15-17-25(18-16-23)34-33-24-13-9-6-10-14-24/h5-18,20,27,32H,3-4,19,21H2,1-2H3/b34-33+
InChIKey ITIPGRQEWNLTBY-JEIPZWNWSA-N
Mol Weight 557.6 g/mol
Molecular Formula C31H31N3O7
Exact Mass 557.2162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hOqoKAE3uv
Name [4'-(Phenylazo)phenacyl] N-{[2,2-bis(ethoxycarbonyl)vinylamino][2'-phenylethyl}carboxylate
Alternate Name(s) 4'-Phenylazophenacyl N-[2'',2''-bis(ethoxycarbonyl)vinylamino}-2-(benzyl)acetate 4'-Phenylazophenacyl N-[2'',2''-bis(ethoxycarbonyl)vinylamino}-2-(benzyl)acetate
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Formula C31H31N3O7
InChI InChI=1S/C31H31N3O7/c1-3-39-29(36)26(30(37)40-4-2)20-32-27(19-22-11-7-5-8-12-22)31(38)41-21-28(35)23-15-17-25(18-16-23)34-33-24-13-9-6-10-14-24/h5-18,20,27,32H,3-4,19,21H2,1-2H3/b34-33+
InChIKey ITIPGRQEWNLTBY-JEIPZWNWSA-N
Molecular Weight 557.603 g/mol
SMILES N(C=C(C(=O)OCC)C(=O)OCC)C(C(OCC(c1ccc(\N=N\c2ccccc2)cc1)=O)=O)Cc1ccccc1
SPLASH splash10-004i-9320000000-22352d100260504eda61
Source of Spectrum Y4-90-134-13
Wiley ID 1550388