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Cyano(5-(5-[5-(5-cyano-3,4-dimethylpyrrol-2-ylidenemethyl)-3,4-dimethyl-1H-pyrrol-2-ylmethylene]-4,4-dimethyl-4,5-dihydro-3H-pyrro-2-ylmethylene)-4,4-dimethylpyrrolidin-2-ylene]-acetic acid, tert.-butyl ester
SpectraBase Compound ID GBLg8Q1HPv1
InChI InChI=1S/C35H42N6O2/c1-19-20(2)27(39-25(19)13-26-21(3)22(4)29(18-37)40-26)14-31-34(8,9)15-23(38-31)12-30-35(10,11)16-28(41-30)24(17-36)32(42)43-33(5,6)7/h12-14,39,41H,15-16H2,1-11H3/b26-13-,28-24+,30-12-,31-14-
InChIKey TYPCJIQNVTVTCB-PZBMOWSMSA-N
Mol Weight 578.8 g/mol
Molecular Formula C35H42N6O2
Exact Mass 578.336925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JRbvhxAXVhh
Name Cyano(5-(5-[5-(5-cyano-3,4-dimethylpyrrol-2-ylidenemethyl)-3,4-dimethyl-1H-pyrrol-2-ylmethylene]-4,4-dimethyl-4,5-dihydro-3H-pyrro-2-ylmethylene)-4,4-dimethylpyrrolidin-2-ylene]-acetic acid, tert.-butyl ester
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H42N6O2
InChI InChI=1S/C35H42N6O2/c1-19-20(2)27(39-25(19)13-26-21(3)22(4)29(18-37)40-26)14-31-34(8,9)15-23(38-31)12-30-35(10,11)16-28(41-30)24(17-36)32(42)43-33(5,6)7/h12-14,39,41H,15-16H2,1-11H3/b26-13-,28-24+,30-12-,31-14-
InChIKey TYPCJIQNVTVTCB-PZBMOWSMSA-N
Molecular Weight 578.761 g/mol
SMILES N1\C(=C/C2=N\C(=C/c3c(c(c(\C=C\4C(=C(C)C(C#N)=N4)C)[nH]3)C)C)C(C2)(C)C)C(C\C1=C\(C(OC(C)(C)C)=O)C#N)(C)C
SPLASH splash10-00fr-3352790000-6914e3e124fd5bb0502c
Synonyms tert-Butyl (2E)-cyano((5Z)-5-([(2Z)-2-((5-[(Z)-(5-cyano-3,4-dimethyl-2H-pyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl)methylene)-3,3-dimethyl-3,4-dihydro-2H-pyrrol-5-yl]methylene)-4,4-dimethylp
Wiley ID 1482408