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4-( 2'-Benzyl-1',3'-dioxo-perhydropyrrolo[3,4-a]pyrroizin-4'-yl)benzonitrile

View entire compound with spectra: 1 MS (GC)

4-( 2'-Benzyl-1',3'-dioxo-perhydropyrrolo[3,4-a]pyrroizin-4'-yl)benzonitrile
SpectraBase Compound ID CCAmDZneNqa
InChI InChI=1S/C23H21N3O2/c24-13-15-8-10-17(11-9-15)21-20-19(18-7-4-12-25(18)21)22(27)26(23(20)28)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18-21H,4,7,12,14H2/t18?,19?,20?,21-/m0/s1
InChIKey XPJZFQWOPVFXJP-FNNAPWSISA-N
Mol Weight 371.44 g/mol
Molecular Formula C23H21N3O2
Exact Mass 371.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Io3EK0BzH15
Name 4-( 2'-Benzyl-1',3'-dioxo-perhydropyrrolo[3,4-a]pyrroizin-4'-yl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21N3O2
InChI InChI=1S/C23H21N3O2/c24-13-15-8-10-17(11-9-15)21-20-19(18-7-4-12-25(18)21)22(27)26(23(20)28)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18-21H,4,7,12,14H2/t18?,19?,20?,21-/m0/s1
InChIKey XPJZFQWOPVFXJP-FNNAPWSISA-N
Molecular Weight 371.440 g/mol
SMILES C1(N(C(C2[C@@](N3CCCC3C12)(c1ccc(C#N)cc1)[H])=O)Cc1ccccc1)=O
SPLASH splash10-001i-0900000000-55c4967a9267a18cecf8
Source of Spectrum H-83-890-23
Wiley ID 847043