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-mol5418 (Unknown Molecule)
Chemical Information
| InChI | InChI=1S/C20H20O/c1-13-10-14(2)12-16(11-13)18-6-4-5-7-19(18)17-8-9-20(21)15(17)3/h4-7,10-12H,8-9H2,1-3H3 |
|---|---|
| SMILES | Cc1cc(C)cc(c1)c1ccccc1C1=C(C)C(=O)CC1 |
| InChI Key | MNOHGWBWPZQDBO-UHFFFAOYSA-N |
| Exact Mass | 276.372 g/mol |
4 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol5418 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 177693424 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |