Molecule
![Molecular Image]()
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)
1-methyl-3-nitro-2-(trifluoromethyl)benzene
Chemical Information
| InChI | InChI=1S/C8H6F3NO2/c1-5-3-2-4-6(12(13)14)7(5)8(9,10)11/h2-4H,1H3 |
|---|---|
| SMILES | [O-][N+](=O)c1cccc(c1C(F)(F)F)C |
| InChI Key | QSNTZLUZBNSESZ-UHFFFAOYSA-N |
| Exact Mass | 205.134 g/mol |
5 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol2263 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 10338398 | surechembl |
| 17995664 | pubchem |
| Molport-016-578-624 | molport |
| The data in this table is sourced from UniChem at EBI. | |