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[4'-(Phenylazo)phenacyl] N-{[2,2-bis(ethoxycarbonyl)vinylamino](isopropyl)methyl}carboxylate
SpectraBase Compound ID 2MlREpbD1Qy
InChI InChI=1S/C27H31N3O7/c1-5-35-25(32)22(26(33)36-6-2)16-28-24(18(3)4)27(34)37-17-23(31)19-12-14-21(15-13-19)30-29-20-10-8-7-9-11-20/h7-16,18,24,28H,5-6,17H2,1-4H3/b30-29+
InChIKey JCYWJECWEPGVOV-QVIHXGFCSA-N
Mol Weight 509.56 g/mol
Molecular Formula C27H31N3O7
Exact Mass 509.2162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9r0QyGNrthC
Name [4'-(Phenylazo)phenacyl] N-{[2,2-bis(ethoxycarbonyl)vinylamino](isopropyl)methyl}carboxylate
Alternate Name(s) 4'-Phenylazophenacyl N-[2'',2''-bis(ethoxycarbonyl)vinylamino}-2-(isopropyl)acetate Diethyl 2-({2-methyl-1-[(2-oxo-2-{4-[(E)-phenyldiazenyl]phenyl}ethoxy)carbonyl]propyl}amino)-1,1-ethylenedicarboxylate
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Formula C27H31N3O7
InChI InChI=1S/C27H31N3O7/c1-5-35-25(32)22(26(33)36-6-2)16-28-24(18(3)4)27(34)37-17-23(31)19-12-14-21(15-13-19)30-29-20-10-8-7-9-11-20/h7-16,18,24,28H,5-6,17H2,1-4H3/b30-29+
InChIKey JCYWJECWEPGVOV-QVIHXGFCSA-N
Molecular Weight 509.559 g/mol
SMILES N(C=C(C(=O)OCC)C(=O)OCC)C(C(OCC(c1ccc(\N=N\c2ccccc2)cc1)=O)=O)C(C)C
SPLASH splash10-0a4i-6950170000-b5659cb1fe55789d0b93
Source of Spectrum Y4-90-134-3
Wiley ID 1550397