Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
mass spectrometry (MS)
(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoic acid
Chemical Information
| InChI | InChI=1S/C12H12O5/c1-8(13)17-10-5-3-9(4-6-12(14)15)7-11(10)16-2/h3-7H,1-2H3,(H,14,15)/b6-4+ |
|---|---|
| SMILES | COc1cc(/C=C/C(=O)O)ccc1OC(=O)C |
| InChI Key | IHKNVZISLLDMOR-GQCTYLIASA-N |
| Exact Mass | 236.221 g/mol |
4 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol1267 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEBI:86582 | chebi |
| CHEMBL33539 | chembl |
| 111271 | surechembl |
| 29988654 | surechembl |
| 5354677 | pubchem |
| GEYPIJ | CCDC |
| DTXSID301205242 | comptox |
| Molport-000-679-610 | molport |
| The data in this table is sourced from UniChem at EBI. | |