Dataset
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Chemical Info
| InChI | InChI=1S/C10H10O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,11H,1-3H2 |
|---|---|
| SMILES | Oc1ccc2c(c1)CCCC2=O |
| InChI Key | FNSQPQKPPGALFA-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
| Exact Mass | 162.185 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/FNSQPQKPPGALFA-UHFFFAOYSA-N/CHMO0001148 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/FNSQPQKPPGALFA-UHFFFAOYSA-N/CHMO0001148 |
| Version | |
| Author | Grace Hunt |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T04:26:03.527796 |
| MetadataModified | 2025-02-04T13:22:23.512077 |
| MetadataPublished | 2024-08-07 |
| Related Molecule |