![4-[2'-(1'',3''-Benzodioxol-5''-yl)methyl]-1'-ethyl-3'-oxo-perhydropyrrolo[3,4-a]pyrrolizin-4'-yl}benzamidine](/api/spectrum/7sA4eUUTuuC/structure.png?h=300&w=458 "4-[2'-(1'',3''-Benzodioxol-5''-yl)methyl]-1'-ethyl-3'-oxo-perhydropyrrolo[3,4-a]pyrrolizin-4'-yl}benzamidine")
| SpectraBase Compound ID | 6k4tQAPLa8O |
|---|---|
| InChI | InChI=1S/C26H30N4O3/c1-2-18-22-19-4-3-11-29(19)24(16-6-8-17(9-7-16)25(27)28)23(22)26(31)30(18)13-15-5-10-20-21(12-15)33-14-32-20/h5-10,12,18-19,22-24H,2-4,11,13-14H2,1H3,(H3,27,28)/t18?,19?,22?,23?,24-/m0/s1 |
| InChIKey | RCAUWWFTOCHSJH-YPYWWCMWSA-N |
| Mol Weight | 446.55 g/mol |
| Molecular Formula | C26H30N4O3 |
| Exact Mass | 446.231791 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7sA4eUUTuuC |
|---|---|
| Name | 4-[2'-(1'',3''-Benzodioxol-5''-yl)methyl]-1'-ethyl-3'-oxo-perhydropyrrolo[3,4-a]pyrrolizin-4'-yl}benzamidine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H30N4O3 |
| InChI | InChI=1S/C26H30N4O3/c1-2-18-22-19-4-3-11-29(19)24(16-6-8-17(9-7-16)25(27)28)23(22)26(31)30(18)13-15-5-10-20-21(12-15)33-14-32-20/h5-10,12,18-19,22-24H,2-4,11,13-14H2,1H3,(H3,27,28)/t18?,19?,22?,23?,24-/m0/s1 |
| InChIKey | RCAUWWFTOCHSJH-YPYWWCMWSA-N |
| Molecular Weight | 446.551 g/mol |
| SMILES | N=C(c1ccc([C@@]2(N3CCCC3C3C2C(N(Cc2cc4OCOc4cc2)C3CC)=O)[H])cc1)N |
| SPLASH | splash10-0f79-0930100000-49b5a39cb96da37d93d6 |
| Source of Spectrum | H-83-901-55 |
| Wiley ID | 847036 |