![4-[2'-(1'',3''-Benzodioxol-5''-yl)methyl]-1'-isopropyl-3'-oxo-perhydropyrrolo[3,4-a]pyrrolizin-4'-yl}benzamidine](/api/spectrum/IJGyfxgYHT9/structure.png?h=300&w=458 "4-[2'-(1'',3''-Benzodioxol-5''-yl)methyl]-1'-isopropyl-3'-oxo-perhydropyrrolo[3,4-a]pyrrolizin-4'-yl}benzamidine")
| SpectraBase Compound ID | GSjesH8VU9 |
|---|---|
| InChI | InChI=1S/C27H32N4O3/c1-15(2)24-22-19-4-3-11-30(19)25(17-6-8-18(9-7-17)26(28)29)23(22)27(32)31(24)13-16-5-10-20-21(12-16)34-14-33-20/h5-10,12,15,19,22-25H,3-4,11,13-14H2,1-2H3,(H3,28,29)/t19?,22?,23?,24?,25-/m0/s1 |
| InChIKey | TZROHICTGLJYJF-FLCOZVFZSA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C27H32N4O3 |
| Exact Mass | 460.247441 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IJGyfxgYHT9 |
|---|---|
| Name | 4-[2'-(1'',3''-Benzodioxol-5''-yl)methyl]-1'-isopropyl-3'-oxo-perhydropyrrolo[3,4-a]pyrrolizin-4'-yl}benzamidine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H32N4O3 |
| InChI | InChI=1S/C27H32N4O3/c1-15(2)24-22-19-4-3-11-30(19)25(17-6-8-18(9-7-17)26(28)29)23(22)27(32)31(24)13-16-5-10-20-21(12-16)34-14-33-20/h5-10,12,15,19,22-25H,3-4,11,13-14H2,1-2H3,(H3,28,29)/t19?,22?,23?,24?,25-/m0/s1 |
| InChIKey | TZROHICTGLJYJF-FLCOZVFZSA-N |
| Molecular Weight | 460.578 g/mol |
| SMILES | N=C(c1ccc([C@@]2(N3CCCC3C3C2C(N(Cc2cc4OCOc4cc2)C3C(C)C)=O)[H])cc1)N |
| SPLASH | splash10-0f79-0940200000-dadf7c9071f0612f9203 |
| Source of Spectrum | H-83-901-1 |
| Wiley ID | 847034 |