![1-BENZYL-5,7-BIS-(METHOXYCARBONYL)-HEXAHYDRO-1H-PYRROLO-[1,2-A]-IMIDAZOLE;MAJOR-EPIMER](/api/spectrum/GIMeEwIdze4/structure.png?h=300&w=458 "1-BENZYL-5,7-BIS-(METHOXYCARBONYL)-HEXAHYDRO-1H-PYRROLO-[1,2-A]-IMIDAZOLE;MAJOR-EPIMER")
| SpectraBase Compound ID | BzUrcZ6takM |
|---|---|
| InChI | InChI=1S/C17H22N2O4/c1-22-16(20)13-10-14(17(21)23-2)19-9-8-18(15(13)19)11-12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3/t13-,14+,15+/m1/s1 |
| InChIKey | NXQNUMJIOUHMPK-ILXRZTDVSA-N |
| Mol Weight | 318.37 g/mol |
| Molecular Formula | C17H22N2O4 |
| Exact Mass | 318.157957 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GIMeEwIdze4 |
|---|---|
| Name | 1-Benzyl-5,7-bis(methoxycarbonyl)hexahydro-1H-pyrrolo[1,2-a]imidazole |
| Alternate Name(s) | (5S,7R,7aS)-1-Benzyl-hexahydro-pyrrolo[1,2-a]imidazole-5,7-dicarboxylic acid dimethyl ester Dimethyl 1-benzylhexahydro-1H-pyrrolo[1,2-a]imidazole-5,7-dicarboxylate (5S,7R,7aS)-1-(phenylmethyl)-2,3,5,6,7,7a-hexahydropyrrolo[1,2-a]imidazole-5,7-dicarboxylic acid dimethyl ester Dimethyl (5S,7R,7aS)-1-benzyl-2,3,5,6,7,7a-hexahydropyrrolo[1,2-a]imidazole-5,7-dicarboxylate Dimethyl (5S,7R,7aS)-1-(phenylmethyl)-2,3,5,6,7,7a-hexahydropyrrolo[1,2-a]imidazole-5,7-dicarboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H22N2O4 |
| InChI | InChI=1S/C17H22N2O4/c1-22-16(20)13-10-14(17(21)23-2)19-9-8-18(15(13)19)11-12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3/t13-,14+,15+/m1/s1 |
| InChIKey | NXQNUMJIOUHMPK-ILXRZTDVSA-N |
| Molecular Weight | 318.373 g/mol |
| SMILES | [C@]12(N([C@@](C[C@]2(C(=O)OC)[H])(C(=O)OC)[H])CCN1Cc1ccccc1)[H] |
| SPLASH | splash10-000x-7890000000-d24d8654a076fae3606e |
| Source of Spectrum | KC-1-2067-9 |
| Wiley ID | 825814 |