Molecule
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13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
electron ionisation mass spectrometry (EI-MS)
infrared absorption spectroscopy (IR)
thin-layer chromatography (TLC)
nfdi4chem-mol9047 (Unknown Molecule)
Chemical Information
| InChI | InChI=1S/C8H6F3NO4/c1-16-7-4-5(12(13,14)15)2-3-6(7)8(9,10)11/h2-4H,1H3 |
|---|---|
| SMILES | COc1cc(ccc1C(F)(F)F)[N+](=O)(=O)[O-] |
| InChI Key | QUEVFDCCPXABJX-UHFFFAOYSA-N |
| Exact Mass | 237.133 g/mol |
5 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol9047 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| No additional information available for this Dataset. | |