Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
distortionless enhancement with polarization transfer (DEPT)
high-resolution electrospray ionisation mass spectrometry (HRESIMS)
methyl 3-(3-hydroxypropyl)-4-(3-methoxyprop-1-ynyl)-1-oxoisochromene-6-carboxylate
Chemical Information
| InChI | InChI=1S/C18H18O6/c1-22-10-4-5-13-15-11-12(17(20)23-2)7-8-14(15)18(21)24-16(13)6-3-9-19/h7-8,11,19H,3,6,9-10H2,1-2H3 |
|---|---|
| SMILES | OCCCc1oc(=O)c2c(c1C#CCOC)cc(cc2)C(=O)OC |
| InChI Key | PPLQCTWVGRNGFQ-UHFFFAOYSA-N |
| Exact Mass | 330.332 g/mol |
4 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol2844 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 166625038 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |