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5-[(E)-cyano-(5-ketopyrrolidin-2-ylidene)methyl]-4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID HMqaTwmgUd1
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-PFONDFGASA-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 8hjna7miiNi
Name 5-[(E)-cyano-(5-ketopyrrolidin-2-ylidene)methyl]-4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester
Alternate Name(s) 5-[(E)-cyano-(5-oxo-2-pyrrolidinylidene)methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester tert-Butyl 5-[(E)-cyano-(5-oxidanylidenepyrrolidin-2-ylidene)methyl]-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylate tert-Butyl 5-[(E)-cyano-(5-oxopyrrolidin-2-ylidene)methyl]-4-(2-methoxy-2-oxo-ethyl)-3-(3-methoxy-3-oxo-propyl)-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-PFONDFGASA-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 splash10-0570-0079100000-9c3c5e1b75d587295a6d
Source of Spectrum KC-1992-2183-36
Wiley ID 776885