![8-Benzyl-1-(tetrahydropyrrolylcarbonyl)-8-azabicyclo[4.4.0]deca-2-en-4,9-dione](/api/spectrum/Axuxvjvozm9/structure.png?h=300&w=458 "8-Benzyl-1-(tetrahydropyrrolylcarbonyl)-8-azabicyclo[4.4.0]deca-2-en-4,9-dione")
| SpectraBase Compound ID | 70Ia5DK2U8B |
|---|---|
| InChI | InChI=1S/C21H24N2O3/c24-18-8-9-21(20(26)22-10-4-5-11-22)13-19(25)23(15-17(21)12-18)14-16-6-2-1-3-7-16/h1-3,6-9,17H,4-5,10-15H2/t17-,21-/m0/s1 |
| InChIKey | VTRWKKKEESZCER-UWJYYQICSA-N |
| Mol Weight | 352.43 g/mol |
| Molecular Formula | C21H24N2O3 |
| Exact Mass | 352.178693 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Axuxvjvozm9 |
|---|---|
| Name | 8-Benzyl-1-(tetrahydropyrrolylcarbonyl)-8-azabicyclo[4.4.0]deca-2-en-4,9-dione |
| Alternate Name(s) | (4aR,8aR)-2-Benzyl-4a-(pyrrolidine-1-carbonyl)-1,2,4,4a,8,8a-hexahydro-isoquinoline-3,7-dione 2-Benzyl-4a-(1-pyrrolidinylcarbonyl)-1,2,4,4a,8,8a-hexahydro-3,7-isoquinolinedione (4aR,8aR)-4a-[oxo(1-pyrrolidinyl)methyl]-2-(phenylmethyl)-1,4,8,8a-tetrahydroisoquinoline-3,7-dione (4aR,8aR)-2-benzyl-4a-(pyrrolidine-1-carbonyl)-1,4,8,8a-tetrahydroisoquinoline-3,7-dione (4aR,8aR)-2-(phenylmethyl)-4a-pyrrolidin-1-ylcarbonyl-1,4,8,8a-tetrahydroisoquinoline-3,7-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24N2O3 |
| InChI | InChI=1S/C21H24N2O3/c24-18-8-9-21(20(26)22-10-4-5-11-22)13-19(25)23(15-17(21)12-18)14-16-6-2-1-3-7-16/h1-3,6-9,17H,4-5,10-15H2/t17-,21-/m0/s1 |
| InChIKey | VTRWKKKEESZCER-UWJYYQICSA-N |
| Molecular Weight | 352.434 g/mol |
| SMILES | [C@@]12(C(N3CCCC3)=O)[C@](CN(Cc3ccccc3)C(C2)=O)(CC(=O)C=C1)[H] |
| SPLASH | splash10-0udi-1095000000-affd7fc65f6aa9191bf8 |
| Source of Spectrum | J-57-6045-31 |
| Wiley ID | 1343480 |