![anti-endo-4-cyano-1,3,3a,4,6,6a-hexahydro-2-(4-methylphenyl)-5-methyl-6-phenyl-2H,5H-pyrrolo[3,4-c]pyrrol-1,3-dione](/api/spectrum/BKHWlJw7X4o/structure.png?h=300&w=458 "anti-endo-4-cyano-1,3,3a,4,6,6a-hexahydro-2-(4-methylphenyl)-5-methyl-6-phenyl-2H,5H-pyrrolo[3,4-c]pyrrol-1,3-dione")
| SpectraBase Compound ID | DEBt2ZzRFZO |
|---|---|
| InChI | InChI=1S/C21H19N3O2/c1-13-8-10-15(11-9-13)24-20(25)17-16(12-22)23(2)19(18(17)21(24)26)14-6-4-3-5-7-14/h3-11,16-19H,1-2H3 |
| InChIKey | JCGYPVYGWLSUNO-UHFFFAOYSA-N |
| Mol Weight | 345.4 g/mol |
| Molecular Formula | C21H19N3O2 |
| Exact Mass | 345.147727 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BKHWlJw7X4o |
|---|---|
| Name | anti-endo-4-cyano-1,3,3a,4,6,6a-hexahydro-2-(4-methylphenyl)-5-methyl-6-phenyl-2H,5H-pyrrolo[3,4-c]pyrrol-1,3-dione |
| CAS Registry Number | 115011-66-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H19N3O2 |
| InChI | InChI=1S/C21H19N3O2/c1-13-8-10-15(11-9-13)24-20(25)17-16(12-22)23(2)19(18(17)21(24)26)14-6-4-3-5-7-14/h3-11,16-19H,1-2H3 |
| InChIKey | JCGYPVYGWLSUNO-UHFFFAOYSA-N |
| Molecular Weight | 345.402 g/mol |
| SMILES | C12C(C(=O)N(C2=O)c2ccc(cc2)C)C(c2ccccc2)N(C1C#N)C |
| SPLASH | splash10-0a4i-0900000000-156296f8353da83fbfa6 |
| Source of Spectrum | AJ-60-4075-7 |
| Synonyms | 2-Methyl-5-(4-methylphenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carbonitrile anti-exo-4-cyano-1,3,3a,4,6,6a-hexahydro-2-(4-methylphenyl)-5-methyl-6-phenyl-2H,5H-pyrrolo[3,4-c]pyrrol-1,3-dione syn-endo-4-cyano-1,3,3a,4,6,6a-hexahydro-2-(4-methylphenyl)-5-methyl-6-phenyl-2H,5H-pyrrolo[3,4-c]pyrrol-1,3-dione syn-exo-4-cyano-1,3,3a,4,6,6a-hexahydro-2-(4-methylphenyl)-5-methyl-6-phenyl-2H,5H-pyrrolo[3,4-c]pyrrol-1,3-dione |
| Wiley ID | 1338761 |