Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
19F nuclear magnetic resonance spectroscopy (19F NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
high-resolution electrospray ionisation mass spectrometry (HRESIMS)
3-(3-hydroxypropyl)-4-(3-methoxyprop-1-ynyl)-6-(trifluoromethyl)isochromen-1-one
Chemical Information
| InChI | InChI=1S/C17H15F3O4/c1-23-9-3-4-12-14-10-11(17(18,19)20)6-7-13(14)16(22)24-15(12)5-2-8-21/h6-7,10,21H,2,5,8-9H2,1H3 |
|---|---|
| SMILES | COCC#Cc1c(CCCO)oc(=O)c2c1cc(cc2)C(F)(F)F |
| InChI Key | LYSFGQUUZPMXBJ-UHFFFAOYSA-N |
| Exact Mass | 340.294 g/mol |
4 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol7963 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 168301084 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |