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[4'-(Phenylazo)phenacyl] N-{[2,2-bis(ethoxycarbonyl)vinylamino](isobutyl)methyl}carboxylate
SpectraBase Compound ID Ek5JjJKhBWW
InChI InChI=1S/C28H33N3O7/c1-5-36-26(33)23(27(34)37-6-2)17-29-24(16-19(3)4)28(35)38-18-25(32)20-12-14-22(15-13-20)31-30-21-10-8-7-9-11-21/h7-15,17,19,24,29H,5-6,16,18H2,1-4H3/b31-30+
InChIKey GOBBACJQWHBXOA-NVQSTNCTSA-N
Mol Weight 523.6 g/mol
Molecular Formula C28H33N3O7
Exact Mass 523.23185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74c2AGF8S9o
Name [4'-(Phenylazo)phenacyl] N-{[2,2-bis(ethoxycarbonyl)vinylamino](isobutyl)methyl}carboxylate
Alternate Name(s) 4'-Phenylazophenacyl N-[2'',2''-bis(ethoxycarbonyl)vinylamino}-2-(isobutyl)acetate 4'-Phenylazophenacyl {N-2'',2''-bis(ethoxycarbonyl)vinylamino}-2-(isobutyl)acetate Diethyl 2-({isopentyl[(2-oxo-2-{4-[(E)-phenyldiazenyl]phenyl}ethoxy)carbonyl]amino}methylene)malonate
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Formula C28H33N3O7
InChI InChI=1S/C28H33N3O7/c1-5-36-26(33)23(27(34)37-6-2)17-29-24(16-19(3)4)28(35)38-18-25(32)20-12-14-22(15-13-20)31-30-21-10-8-7-9-11-21/h7-15,17,19,24,29H,5-6,16,18H2,1-4H3/b31-30+
InChIKey GOBBACJQWHBXOA-NVQSTNCTSA-N
Molecular Weight 523.586 g/mol
SMILES N(C=C(C(=O)OCC)C(=O)OCC)C(C(OCC(c1ccc(\N=N\c2ccccc2)cc1)=O)=O)CC(C)C
SPLASH splash10-06vi-5390000000-bd6103b7216e6c89c66e
Source of Spectrum Y4-90-134-4
Wiley ID 1550396