Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
high-resolution electrospray ionisation mass spectrometry (HRESIMS)
3-iodo-4-methoxycarbonylbenzoic acid
Chemical Information
| InChI | InChI=1S/C9H7IO4/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,1H3,(H,11,12) |
|---|---|
| SMILES | COC(=O)c1ccc(cc1I)C(=O)O |
| InChI Key | AGYGRJJIWDNTLI-UHFFFAOYSA-N |
| Exact Mass | 306.054 g/mol |
3 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol5903 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 977599 | surechembl |
| 15462056 | pubchem |
| DTXSID90572988 | comptox |
| Molport-005-941-189 | molport |
| The data in this table is sourced from UniChem at EBI. | |