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(Z)-tert-Butyl 5-cyano-8-(2-methoxycarbonylethyl)-7-(methoxycarbonylmethyl)-1-oxo-1,2,3,10-tetrahydrodipyrrole-9-carboxylate

View entire compound with spectra: 1 MS (GC)

(Z)-tert-Butyl 5-cyano-8-(2-methoxycarbonylethyl)-7-(methoxycarbonylmethyl)-1-oxo-1,2,3,10-tetrahydrodipyrrole-9-carboxylate
SpectraBase Compound ID LV7fvMqqDAn
InChI InChI=1S/C22H27N3O7/c1-22(2,3)32-21(29)20-12(6-9-17(27)30-4)13(10-18(28)31-5)19(25-20)14(11-23)15-7-8-16(26)24-15/h25H,6-10H2,1-5H3,(H,24,26)/b15-14+
InChIKey GCLOEGQBULRYBT-CCEZHUSRSA-N
Mol Weight 445.47 g/mol
Molecular Formula C22H27N3O7
Exact Mass 445.1849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AoYxv9fur7q
Name (Z)-tert-Butyl 5-cyano-8-(2-methoxycarbonylethyl)-7-(methoxycarbonylmethyl)-1-oxo-1,2,3,10-tetrahydrodipyrrole-9-carboxylate
Alternate Name(s) tert-Butyl 5-[(Z)-cyano(5-oxo-2-pyrrolidinylidene)methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
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Formula C22H27N3O7
InChI InChI=1S/C22H27N3O7/c1-22(2,3)32-21(29)20-12(6-9-17(27)30-4)13(10-18(28)31-5)19(25-20)14(11-23)15-7-8-16(26)24-15/h25H,6-10H2,1-5H3,(H,24,26)/b15-14+
InChIKey GCLOEGQBULRYBT-CCEZHUSRSA-N
Molecular Weight 445.472 g/mol
SMILES [nH]1c(\C(=C\2NC(CC2)=O)C#N)c(c(CCC(=O)OC)c1C(OC(C)(C)C)=O)CC(=O)OC
SPLASH splash10-052r-0009100000-1924c25bf46243a4cd35
Source of Spectrum KC-1992-2183-38
Wiley ID 776884