Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
high-resolution mass spectrometry (HRMS)
N-[(1R,2R,3R)-5,7-dimethoxy-2-methyl-3'-oxospiro[1,2-dihydroindene-3,1'-2H-isoindole]-1-yl]-2-phenylacetamide
Chemical Information
| InChI | InChI=1S/C27H26N2O4/c1-16-25(28-23(30)13-17-9-5-4-6-10-17)24-21(14-18(32-2)15-22(24)33-3)27(16)20-12-8-7-11-19(20)26(31)29-27/h4-12,14-16,25H,13H2,1-3H3,(H,28,30)(H,29,31)/t16-,25-,27+/m1/s1 |
|---|---|
| SMILES | COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)Cc1ccccc1)C |
| InChI Key | AZLXCNAIXUPYSM-BHLWPZGCSA-N |
| Exact Mass | 442.506 g/mol |
5 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol4749 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 169452741 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |