![4-[2'-(1'',3''-Benzodioxol-5''-yl)methyl]-1'-cyclopropyl-3'-oxo-perhydropyrrolo[3,4-a]pyrrolizin-4'-yl}benzamidine](/api/spectrum/2Ue7xvyD13I/structure.png?h=300&w=458 "4-[2'-(1'',3''-Benzodioxol-5''-yl)methyl]-1'-cyclopropyl-3'-oxo-perhydropyrrolo[3,4-a]pyrrolizin-4'-yl}benzamidine")
| SpectraBase Compound ID | IoJi9w4L6dm |
|---|---|
| InChI | InChI=1S/C27H30N4O3/c28-26(29)18-8-6-17(7-9-18)25-23-22(19-2-1-11-30(19)25)24(16-4-5-16)31(27(23)32)13-15-3-10-20-21(12-15)34-14-33-20/h3,6-10,12,16,19,22-25H,1-2,4-5,11,13-14H2,(H3,28,29)/t19?,22?,23?,24?,25-/m0/s1 |
| InChIKey | XYMBMAVAMICSMV-FLCOZVFZSA-N |
| Mol Weight | 458.56 g/mol |
| Molecular Formula | C27H30N4O3 |
| Exact Mass | 458.231791 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2Ue7xvyD13I |
|---|---|
| Name | 4-[2'-(1'',3''-Benzodioxol-5''-yl)methyl]-1'-cyclopropyl-3'-oxo-perhydropyrrolo[3,4-a]pyrrolizin-4'-yl}benzamidine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H30N4O3 |
| InChI | InChI=1S/C27H30N4O3/c28-26(29)18-8-6-17(7-9-18)25-23-22(19-2-1-11-30(19)25)24(16-4-5-16)31(27(23)32)13-15-3-10-20-21(12-15)34-14-33-20/h3,6-10,12,16,19,22-25H,1-2,4-5,11,13-14H2,(H3,28,29)/t19?,22?,23?,24?,25-/m0/s1 |
| InChIKey | XYMBMAVAMICSMV-FLCOZVFZSA-N |
| Molecular Weight | 458.562 g/mol |
| SMILES | N=C(c1ccc([C@@]2(N3CCCC3C3C2C(N(Cc2cc4OCOc4cc2)C3C2CC2)=O)[H])cc1)N |
| SPLASH | splash10-0f80-0920200000-e0f7dddee2eea6e5d1cf |
| Source of Spectrum | H-83-901-55 |
| Wiley ID | 847035 |