Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
1H--1H correlation spectroscopy (1H-1H COSY)
benzene-1,3-dicarbaldehyde
Chemical Information
| InChI | InChI=1S/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6H |
|---|---|
| SMILES | O=Cc1cccc(c1)C=O |
| InChI Key | IZALUMVGBVKPJD-UHFFFAOYSA-N |
| Exact Mass | 134.132 g/mol |
5 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol9323 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL2289228 | chembl |
| 180566 | surechembl |
| 34777 | pubchem |
| LU162B2N9X | fdasrs |
| IHEMIR | CCDC |
| 106346 | brenda |
| 151176 | brenda |
| DTXSID30870718 | comptox |
| Molport-002-461-872 | molport |
| The data in this table is sourced from UniChem at EBI. | |