Dataset
correlation spectroscopy (COSY)
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 |
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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 |
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DOI | 10.14272/DQDAYGNAKTZFIW-UHFFFAOYSA-N/CHMO0000599 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/DQDAYGNAKTZFIW-UHFFFAOYSA-N/CHMO0000599 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2025-02-04T13:30:43.590171 |
MetadataModified | 2025-02-05T14:33:38.852884 |
MetadataPublished | 2025-01-30 |
Related Molecule |