![3-(3a,6a-Dimethyl-2,5-dioxooctahydropyrrolo[2,3-b]pyrrol-3-yl)-propionic acid, methyl ester](/api/spectrum/GxsF9ciBv6x/structure.png?h=300&w=458 "3-(3a,6a-Dimethyl-2,5-dioxooctahydropyrrolo[2,3-b]pyrrol-3-yl)-propionic acid, methyl ester")
| SpectraBase Compound ID | suao6ZPXVs |
|---|---|
| InChI | InChI=1S/C12H18N2O4/c1-11-6-8(15)13-12(11,2)14-10(17)7(11)4-5-9(16)18-3/h7H,4-6H2,1-3H3,(H,13,15)(H,14,17) |
| InChIKey | DMYTUMRFGLCUIT-UHFFFAOYSA-N |
| Mol Weight | 254.29 g/mol |
| Molecular Formula | C12H18N2O4 |
| Exact Mass | 254.126657 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GxsF9ciBv6x |
|---|---|
| Name | 3-(3a,6a-Dimethyl-2,5-dioxooctahydropyrrolo[2,3-b]pyrrol-3-yl)-propionic acid, methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H18N2O4 |
| InChI | InChI=1S/C12H18N2O4/c1-11-6-8(15)13-12(11,2)14-10(17)7(11)4-5-9(16)18-3/h7H,4-6H2,1-3H3,(H,13,15)(H,14,17) |
| InChIKey | DMYTUMRFGLCUIT-UHFFFAOYSA-N |
| Molecular Weight | 254.286 g/mol |
| SMILES | N1C(CC2(C(C(=O)NC12C)CCC(=O)OC)C)=O |
| SPLASH | splash10-00dl-5910000000-9897274eee9a2e192201 |
| Synonyms | 3-(2,5-diketo-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[2,3-b]pyrrol-4-yl)propionic acid methyl ester 3-(3a,6a-dimethyl-2,5-dioxo-1,3,4,6-tetrahydropyrrolo[2,3-b]pyrrol-4-yl)propanoic acid methyl ester Methyl 3-(3a,6a-dimethyl-2,5-dioxo-1,3,4,6-tetrahydropyrrolo[2,3-b]pyrrol-4-yl)propanoate Methyl 3-(3a,6a-dimethyl-2,5-dioxooctahydropyrrolo[2,3-b]pyrrol-3-yl)propanoate Methyl 3-[3a,6a-dimethyl-2,5-bis(oxidanylidene)-1,3,4,6-tetrahydropyrrolo[2,3-b]pyrrol-4-yl]propanoate |
| Wiley ID | 1482137 |