Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
3-hydroxy-3-thiophen-2-yl-2H-isoindol-1-one
Chemical Information
| InChI | InChI=1S/C12H9NO2S/c14-11-8-4-1-2-5-9(8)12(15,13-11)10-6-3-7-16-10/h1-7,15H,(H,13,14) |
|---|---|
| SMILES | O=C1NC(c2c1cccc2)(O)c1cccs1 |
| InChI Key | PAQPBFVHEFHJEO-UHFFFAOYSA-N |
| Exact Mass | 231.270 g/mol |
3 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol4094 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 135030595 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |