Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
high-resolution electrospray ionisation mass spectrometry (HRESIMS)
methyl 4-cyano-2-(5-hydroxypent-1-ynyl)benzoate
Chemical Information
| InChI | InChI=1S/C14H13NO3/c1-18-14(17)13-7-6-11(10-15)9-12(13)5-3-2-4-8-16/h6-7,9,16H,2,4,8H2,1H3 |
|---|---|
| SMILES | COC(=O)c1ccc(cc1C#CCCCO)C#N |
| InChI Key | ICQAWZGUDLLHHP-UHFFFAOYSA-N |
| Exact Mass | 243.258 g/mol |
3 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol9728 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 168301081 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |