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Pyrrolo[3,4-c]pyrrole-1-carbonitrile, octahydro-5-methyl-4,6-dioxo-3-phenyl-, (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-
SpectraBase Compound ID 22kp26KcBdL
InChI InChI=1S/C14H13N3O2/c1-17-13(18)10-9(7-15)16-12(11(10)14(17)19)8-5-3-2-4-6-8/h2-6,9-12,16H,1H3/t9-,10-,11-,12-/m0/s1
InChIKey ALBFDIYKDXQMBO-BJDJZHNGSA-N
Mol Weight 255.28 g/mol
Molecular Formula C14H13N3O2
Exact Mass 255.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9ISWF37Eb7
Name Pyrrolo[3,4-c]pyrrole-1-carbonitrile, octahydro-5-methyl-4,6-dioxo-3-phenyl-, (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-
CAS Registry Number 102845-50-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13N3O2
InChI InChI=1S/C14H13N3O2/c1-17-13(18)10-9(7-15)16-12(11(10)14(17)19)8-5-3-2-4-6-8/h2-6,9-12,16H,1H3/t9-,10-,11-,12-/m0/s1
InChIKey ALBFDIYKDXQMBO-BJDJZHNGSA-N
Molecular Weight 255.277 g/mol
SMILES N1[C@]([C@]2([C@@]([C@@]1(c1ccccc1)[H])(C(N(C2=O)C)=O)[H])[H])(C#N)[H]
SPLASH splash10-0006-2910000000-b7652f0dcf8405bbc395
Source of Spectrum AJ-59-1817-6
Synonyms (1R,3R,3aS,6aR)-5-methyl-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carbonitrile 2-Methyl-3a,4,6,6a-tetrahydro-4-cyano-6-phenyl-1H,3H-pyrrolo[3,4-c]pyrrol-1,3-dione 3a,4,6,6a-tetrahydro-2-methyl-4-cyano-6-phenyl-1H,3H-pyrrolo[3,4-c]pyrrol-1,3-dione
Wiley ID 1258802