Dataset
heteronuclear multiple bond coherence (HMBC)
Chemical Info
| InChI | InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3 |
|---|---|
| SMILES | CCC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1 |
| InChI Key | DQDAYGNAKTZFIW-UHFFFAOYSA-N |
| Molecular Formula | C18H16O3 |
| Exact Mass | 280.318 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/DQDAYGNAKTZFIW-UHFFFAOYSA-N/CHMO0000601 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/DQDAYGNAKTZFIW-UHFFFAOYSA-N/CHMO0000601 |
| Version | |
| Author | Simone Gräßle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2025-02-04T13:30:54.022800 |
| MetadataModified | 2025-02-05T14:33:45.271192 |
| MetadataPublished | 2025-01-30 |
| Related Molecule |