Molecule
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
(1R,7S)-1,10,10-trimethyl-4-[pyridin-2-yl-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]methyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene
Chemical Information
| InChI | InChI=1S/C28H35N5/c1-25(2)19-10-12-27(25,5)22-17(19)15-32(30-22)24(21-9-7-8-14-29-21)33-16-18-20-11-13-28(6,23(18)31-33)26(20,3)4/h7-9,14-16,19-20,24H,10-13H2,1-6H3/t19-,20-,27+,28+/m1/s1 |
|---|---|
| SMILES | CC1(C)[C@@H]2CC[C@@]1(C)c1c2cn(n1)C(n1cc2c(n1)[C@]1(C([C@@H]2CC1)(C)C)C)c1ccccn1 |
| InChI Key | KXRYDZCNUHBCQB-SJWRPRNESA-N |
| Exact Mass | 441.611 g/mol |
2 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol6231 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 156599675 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |