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-nitro-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
Chemical Information
| InChI | InChI=1S/C9H6F3NO2/c10-9(11,12)6-5-7-1-3-8(4-2-7)13(14)15/h1-6H/b6-5+ |
|---|---|
| SMILES | FC(/C=C/c1ccc(cc1)[N+](=O)[O-])(F)F |
| InChI Key | WGVJEEXBVPTTFU-AATRIKPKSA-N |
| Exact Mass | 217.145 g/mol |
5 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol2832 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 2997200 | surechembl |
| 10932870 | pubchem |
| Molport-046-856-298 | molport |
| The data in this table is sourced from UniChem at EBI. | |