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[1,1'-Bi-1H-pyrrole]-2,2'-dipropanoic acid, .alpha.,.alpha.'-dicyano-, bis(1,1-dimethylethyl) ester
SpectraBase Compound ID IZUQrNbq0vc
InChI InChI=1S/C24H30N4O4/c1-23(2,3)31-21(29)17(15-25)13-19-9-7-11-27(19)28-12-8-10-20(28)14-18(16-26)22(30)32-24(4,5)6/h7-12,17-18H,13-14H2,1-6H3
InChIKey RJOBXGBTMYJNID-UHFFFAOYSA-N
Mol Weight 438.53 g/mol
Molecular Formula C24H30N4O4
Exact Mass 438.226705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IWFtNJGLRxp
Name [1,1'-Bi-1H-pyrrole]-2,2'-dipropanoic acid, .alpha.,.alpha.'-dicyano-, bis(1,1-dimethylethyl) ester
CAS Registry Number 77343-05-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30N4O4
InChI InChI=1S/C24H30N4O4/c1-23(2,3)31-21(29)17(15-25)13-19-9-7-11-27(19)28-12-8-10-20(28)14-18(16-26)22(30)32-24(4,5)6/h7-12,17-18H,13-14H2,1-6H3
InChIKey RJOBXGBTMYJNID-UHFFFAOYSA-N
Molecular Weight 438.528 g/mol
SMILES c1([n](-[n]2c(CC(C(OC(C)(C)C)=O)C#N)ccc2)ccc1)CC(C(OC(C)(C)C)=O)C#N
SPLASH splash10-052f-0196200000-fceba6fa83129ef7fd59
Source of Spectrum K-114-628-0
Synonyms Di-tert-butylester of .alpha.,.alpha.'-Dicyano[1,1'-bipyrrole]-2,2'-dipropionic acid tert-Butyl 3-(1-{2-[3-(tert-butoxy)-2-cyano-3-oxopropyl]-1H-pyrrol-1-yl}-1H-pyrrol-2-yl)-2-cyanopropanoate
Wiley ID 1384141