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Pyrrolo[3,4-c]pyrrole-1-carbonitrile, 3-benzoyloctahydro-5-methyl-4,6-dioxo-1-phenyl-, (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-
SpectraBase Compound ID 1ZwySD5zPcG
InChI InChI=1S/C21H17N3O3/c1-24-19(26)15-16(20(24)27)21(12-22,14-10-6-3-7-11-14)23-17(15)18(25)13-8-4-2-5-9-13/h2-11,15-17,23H,1H3/t15-,16-,17+,21+/m0/s1
InChIKey RGETVACKKRNZJU-ZGPJWRFFSA-N
Mol Weight 359.39 g/mol
Molecular Formula C21H17N3O3
Exact Mass 359.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJqURF7oueF
Name Pyrrolo[3,4-c]pyrrole-1-carbonitrile, 3-benzoyloctahydro-5-methyl-4,6-dioxo-1-phenyl-, (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-
CAS Registry Number 107554-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N3O3
InChI InChI=1S/C21H17N3O3/c1-24-19(26)15-16(20(24)27)21(12-22,14-10-6-3-7-11-14)23-17(15)18(25)13-8-4-2-5-9-13/h2-11,15-17,23H,1H3/t15-,16-,17+,21+/m0/s1
InChIKey RGETVACKKRNZJU-ZGPJWRFFSA-N
Molecular Weight 359.385 g/mol
SMILES N1[C@]([C@@]2([C@]([C@@]1(C#N)c1ccccc1)(C(N(C2=O)C)=O)[H])[H])(C(=O)c1ccccc1)[H]
SPLASH splash10-0aor-0900000000-861f3d693b8acfc6ee3a
Source of Spectrum AJ-59-1818-14
Synonyms (1S,3R,3aS,6aR)-3-benzoyl-5-methyl-4,6-dioxo-1-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carbonitrile 2-Methyl-4-phenyl-4-cyano-hexahydro-6-benzoylpyrrolo[3,4-c[pyrrole-1,3-dione
Wiley ID 1347811