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)
6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
Chemical Information
| InChI | InChI=1S/C15H14N2O2/c1-19-12-6-4-11(5-7-12)9-17-10-14-13(15(17)18)3-2-8-16-14/h2-8H,9-10H2,1H3 |
|---|---|
| SMILES | COc1ccc(cc1)CN1Cc2c(C1=O)cccn2 |
| InChI Key | NRHSYYWFPJVZNX-UHFFFAOYSA-N |
| Exact Mass | 254.284 g/mol |
4 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol4151 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 30057596 | surechembl |
| 9943014 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |