Dataset
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Chemical Info
| InChI | InChI=1S/C18H12O5/c19-12-8-6-11(7-9-12)14-17(22)15(20)13(16(21)18(14)23)10-4-2-1-3-5-10/h1-9,19-20,23H |
|---|---|
| SMILES | Oc1ccc(cc1)C1=C(O)C(=O)C(=C(C1=O)O)c1ccccc1 |
| InChI Key | PNTORJXTFRBTDZ-UHFFFAOYSA-N |
| Molecular Formula | C18H12O5 |
| Exact Mass | 308.285 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/PNTORJXTFRBTDZ-UHFFFAOYSA-N/CHMO0001148 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/PNTORJXTFRBTDZ-UHFFFAOYSA-N/CHMO0001148 |
| Version | |
| Author | Anja Schueffler |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2025-04-06T02:01:58.114957 |
| MetadataModified | 2025-04-06T02:17:00.242138 |
| MetadataPublished | 2025-04-03 |
| Related Molecule |