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4-( 5'-Benzyl-2'-acetyl-3'-methyl-yl-4',6''-dioxo-perhydropyrrolo[3,4-a]pyrroizin-4'-yl)benzonitrile
SpectraBase Compound ID 59UuE5OHb1s
InChI InChI=1S/C23H21N3O3/c1-14-19-20(23(29)25(22(19)28)13-17-6-4-3-5-7-17)21(26(14)15(2)27)18-10-8-16(12-24)9-11-18/h3-11,14,19-21H,13H2,1-2H3/t14?,19?,20?,21-/m0/s1
InChIKey PIXBAOGREAUACS-WAHHNOCZSA-N
Mol Weight 387.44 g/mol
Molecular Formula C23H21N3O3
Exact Mass 387.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6C2cpSJt3E6
Name 4-( 5'-Benzyl-2'-acetyl-3'-methyl-yl-4',6''-dioxo-perhydropyrrolo[3,4-a]pyrroizin-4'-yl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21N3O3
InChI InChI=1S/C23H21N3O3/c1-14-19-20(23(29)25(22(19)28)13-17-6-4-3-5-7-17)21(26(14)15(2)27)18-10-8-16(12-24)9-11-18/h3-11,14,19-21H,13H2,1-2H3/t14?,19?,20?,21-/m0/s1
InChIKey PIXBAOGREAUACS-WAHHNOCZSA-N
Molecular Weight 387.439 g/mol
SMILES C1(N(C(C2[C@@](N(C(C12)C)C(=O)C)(c1ccc(C#N)cc1)[H])=O)Cc1ccccc1)=O
SPLASH splash10-0006-9407000000-4b789e6118bf8346de7c
Source of Spectrum H-83-891-28
Wiley ID 847041