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4-(5'-Benzyl-3'-(2''-methylpropyl)-4',6'-dioxooctahydropyrrolo[3,4-c]pyrrol-1'-yl)benzonitrile

View entire compound with spectra: 1 MS (GC)

4-(5'-Benzyl-3'-(2''-methylpropyl)-4',6'-dioxooctahydropyrrolo[3,4-c]pyrrol-1'-yl)benzonitrile
SpectraBase Compound ID 5vzrwipZi3k
InChI InChI=1S/C24H25N3O2/c1-15(2)12-19-20-21(22(26-19)18-10-8-16(13-25)9-11-18)24(29)27(23(20)28)14-17-6-4-3-5-7-17/h3-11,15,19-22,26H,12,14H2,1-2H3/t19-,20-,21-,22-/m0/s1
InChIKey CVVLGHCZPDNYCB-CMOCDZPBSA-N
Mol Weight 387.48 g/mol
Molecular Formula C24H25N3O2
Exact Mass 387.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LjacsfL6Hy
Name 4-(5'-Benzyl-3'-(2''-methylpropyl)-4',6'-dioxooctahydropyrrolo[3,4-c]pyrrol-1'-yl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25N3O2
InChI InChI=1S/C24H25N3O2/c1-15(2)12-19-20-21(22(26-19)18-10-8-16(13-25)9-11-18)24(29)27(23(20)28)14-17-6-4-3-5-7-17/h3-11,15,19-22,26H,12,14H2,1-2H3/t19-,20-,21-,22-/m0/s1
InChIKey CVVLGHCZPDNYCB-CMOCDZPBSA-N
Molecular Weight 387.483 g/mol
SMILES N1[C@]([C@]2(C(N(C([C@]2([C@@]1(CC(C)C)[H])[H])=O)Cc1ccccc1)=O)[H])(c1ccc(C#N)cc1)[H]
SPLASH splash10-001l-4409000000-ca4cc8357ef872813ab7
Source of Spectrum H-83-890-23
Synonyms 4-[(1R,3S,3aR,6aS)-5-benzyl-3-isobutyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrol-1-yl]benzonitrile
Wiley ID 847044