Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C 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-mol7438 (Unknown Molecule)
Chemical Information
| InChI | InChI=1S/C19H18O2/c1-13-16(10-11-19(13)20)18-9-4-3-8-17(18)14-6-5-7-15(12-14)21-2/h3-9,12H,10-11H2,1-2H3 |
|---|---|
| SMILES | COc1cccc(c1)c1ccccc1C1=C(C)C(=O)CC1 |
| InChI Key | LLVIIJBULQHTHX-UHFFFAOYSA-N |
| Exact Mass | 278.345 g/mol |
4 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol7438 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 177693394 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |