Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
19F nuclear magnetic resonance spectroscopy (19F NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
high-resolution electrospray ionisation mass spectrometry (HRESIMS)
nfdi4chem-mol3544 (Unknown Molecule)
Chemical Information
| InChI | InChI=1S/C15H12F3NO4/c1-23-14-11(3-2-4-12(14)19(21)22)13(20)9-5-7-10(8-6-9)15(16,17)18/h2-8,13,20H,1H3 |
|---|---|
| SMILES | COc1c(cccc1N(=O)=O)C(c1ccc(cc1)C(F)(F)F)O |
| InChI Key | PMXLWVWZQJVCJL-UHFFFAOYSA-N |
| Exact Mass | 327.255 g/mol |
5 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol3544 |
| 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. | |