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Cyano(5'-ethoxy-1,2,3,4,3',4'-hexahydro-2'H-[2,2']bipyrrolyl-5-ylidene)acetic acid, t-butyl ester
SpectraBase Compound ID 5FB8U9Nqx1U
InChI InChI=1S/C17H25N3O3/c1-5-22-15-9-8-14(20-15)13-7-6-12(19-13)11(10-18)16(21)23-17(2,3)4/h13-14,19H,5-9H2,1-4H3/b12-11+
InChIKey LUKURZBUJYDLKH-VAWYXSNFSA-N
Mol Weight 319.41 g/mol
Molecular Formula C17H25N3O3
Exact Mass 319.189592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18idEqrAcC
Name Cyano(5'-ethoxy-1,2,3,4,3',4'-hexahydro-2'H-[2,2']bipyrrolyl-5-ylidene)acetic acid, t-butyl ester
Comments Structure changed after expert review
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Formula C17H25N3O3
InChI InChI=1S/C17H25N3O3/c1-5-22-15-9-8-14(20-15)13-7-6-12(19-13)11(10-18)16(21)23-17(2,3)4/h13-14,19H,5-9H2,1-4H3/b12-11+
InChIKey LUKURZBUJYDLKH-VAWYXSNFSA-N
Molecular Weight 319.405 g/mol
SMILES N1\C(CCC1C1CCC(OCC)=N1)=C\(C(=O)OC(C)(C)C)C#N
SPLASH splash10-0bu3-9300000000-50df3bcc024a1bb1c773
Synonyms tert-Butyl (2E)-cyano[5-(5-ethoxy-3,4-dihydro-2H-pyrrol-2-yl)-2-pyrrolidinylidene]ethanoate tert-Butyl (2E)-2-cyano-2-[5-(5-ethoxy-3,4-dihydro-2H-pyrrol-2-yl)pyrrolidin-2-ylidene]acetate
Wiley ID 1483074