Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
infrared absorption spectroscopy (IR)
triphenylene-2,3,6,7,10,11-hexacarboxylic acid
Chemical Information
| InChI | InChI=1S/C24H12O12/c25-19(26)13-1-7-8(2-14(13)20(27)28)10-4-17(23(33)34)18(24(35)36)6-12(10)11-5-16(22(31)32)15(21(29)30)3-9(7)11/h1-6H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36) |
|---|---|
| SMILES | OC(=O)c1cc2c(cc1C(=O)O)c1cc(C(=O)O)c(cc1c1c2cc(C(=O)O)c(c1)C(=O)O)C(=O)O |
| InChI Key | VXNBSNYXVNPLRD-UHFFFAOYSA-N |
| Exact Mass | 492.345 g/mol |
3 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol3767 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 3872491 | surechembl |
| 54416108 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |