Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
fast-atom bombardment mass spectrometry (FABMS)
infrared absorption spectroscopy (IR)
(1S,4aR,9aS)-9a-(2-iodobenzoyl)-2-methyl-1-trimethylsilyloxy-4,4a-dihydro-1H-anthracene-9,10-dione
Chemical Information
| InChI | InChI=1S/C25H25IO4Si/c1-15-13-14-19-21(27)16-9-5-6-10-17(16)22(28)25(19,24(15)30-31(2,3)4)23(29)18-11-7-8-12-20(18)26/h5-13,19,24H,14H2,1-4H3/t19-,24-,25-/m0/s1 |
|---|---|
| SMILES | Ic1ccccc1C(=O)[C@]12[C@@H](O[Si](C)(C)C)C(=CC[C@H]1C(=O)c1c(C2=O)cccc1)C |
| InChI Key | WPGXNUFGNKCCCZ-LQGLAIQGSA-N |
| Exact Mass | 544.454 g/mol |
4 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol6832 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 146035816 | pubchem |
| UYUGAZ | CCDC |
| The data in this table is sourced from UniChem at EBI. | |