Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
1H--1H correlation spectroscopy (1H-1H COSY)
4-acetyloxybenzoic acid
Chemical Information
| InChI | InChI=1S/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12) |
|---|---|
| SMILES | CC(=O)Oc1ccc(cc1)C(=O)O |
| InChI Key | GDBUZIKSJGRBJP-UHFFFAOYSA-N |
| Exact Mass | 180.157 g/mol |
5 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol9437 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEBI:86560 | chebi |
| CHEMBL131987 | chembl |
| 40184 | surechembl |
| 16865 | pubchem |
| 5L73XP7H9J | fdasrs |
| PD221013 | probes_and_drugs |
| ZEPZAX | CCDC |
| 233471 | brenda |
| DTXSID1062334 | comptox |
| Molport-000-645-271 | molport |
| The data in this table is sourced from UniChem at EBI. | |