Molecule
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13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
fast-atom bombardment mass spectrometry (FABMS)
infrared absorption spectroscopy (IR)
(1R,4aR,9aS)-1-[tert-butyl(dimethyl)silyl]oxy-9a-(2-iodobenzoyl)-2-methyl-4,4a-dihydro-1H-anthracene-9,10-dione
Chemical Information
| InChI | InChI=1S/C28H31IO4Si/c1-17-15-16-21-23(30)18-11-7-8-12-19(18)24(31)28(21,25(32)20-13-9-10-14-22(20)29)26(17)33-34(5,6)27(2,3)4/h7-15,21,26H,16H2,1-6H3/t21-,26+,28-/m0/s1 |
|---|---|
| SMILES | Ic1ccccc1C(=O)[C@]12[C@H](O[Si](C(C)(C)C)(C)C)C(=CC[C@H]1C(=O)c1c(C2=O)cccc1)C |
| InChI Key | POVDWLXJRBXEJQ-OEQAEZTDSA-N |
| Exact Mass | 586.533 g/mol |
4 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol5661 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 146035826 | pubchem |
| UYUZOG | CCDC |
| The data in this table is sourced from UniChem at EBI. | |