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2-[5-(5-Cyano-4,4,5-trimethyl-4,5-dihydro-3H-pyrrol-2-ylmethylene)-4,4-dimethylpyrrolidin-2-ylidene]malonic acid, di-t-butyl ester

View entire compound with spectra: 1 MS (GC)

2-[5-(5-Cyano-4,4,5-trimethyl-4,5-dihydro-3H-pyrrol-2-ylmethylene)-4,4-dimethylpyrrolidin-2-ylidene]malonic acid, di-t-butyl ester
SpectraBase Compound ID JIyK8DPo39b
InChI InChI=1S/C26H39N3O4/c1-22(2,3)32-20(30)19(21(31)33-23(4,5)6)17-14-24(7,8)18(28-17)12-16-13-25(9,10)26(11,15-27)29-16/h12,28H,13-14H2,1-11H3/b18-12-
InChIKey BEURLBBGIAVLLX-PDGQHHTCSA-N
Mol Weight 457.6 g/mol
Molecular Formula C26H39N3O4
Exact Mass 457.294057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIwMs67IQrk
Name 2-[5-(5-Cyano-4,4,5-trimethyl-4,5-dihydro-3H-pyrrol-2-ylmethylene)-4,4-dimethylpyrrolidin-2-ylidene]malonic acid, di-t-butyl ester
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H39N3O4
InChI InChI=1S/C26H39N3O4/c1-22(2,3)32-20(30)19(21(31)33-23(4,5)6)17-14-24(7,8)18(28-17)12-16-13-25(9,10)26(11,15-27)29-16/h12,28H,13-14H2,1-11H3/b18-12-
InChIKey BEURLBBGIAVLLX-PDGQHHTCSA-N
Molecular Weight 457.615 g/mol
SMILES N1C(CC(\C1=C/C=1CC(C)(C)C(C#N)(N1)C)(C)C)=C(C(OC(C)(C)C)=O)C(=O)OC(C)(C)C
SPLASH splash10-05qa-4395100000-ef870a6095ce1fbfe6d5
Synonyms Di(tert-butyl) 2-((5Z)-5-[(2-cyano-2,3,3-trimethyl-3,4-dihydro-2H-pyrrol-5-yl)methylene]-4,4-dimethylpyrrolidinylidene)malonate
Wiley ID 1488174