Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
| InChI | InChI=1S/C10H13ClO/c1-6(2)8-5-10(12)7(3)4-9(8)11/h4-6,12H,1-3H3 |
|---|---|
| SMILES | CC(c1cc(O)c(cc1Cl)C)C |
| InChI Key | AFFXNOIULZQAML-UHFFFAOYSA-N |
| Molecular Formula | C10H13ClO |
| Exact Mass | 184.663 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/AFFXNOIULZQAML-UHFFFAOYSA-N/CHMO0000593 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/AFFXNOIULZQAML-UHFFFAOYSA-N/CHMO0000593 |
| Version | |
| Author | Simone Gräßle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T05:16:24.498969 |
| MetadataModified | 2024-09-07T20:42:46.812936 |
| MetadataPublished | 2021-11-25 |
| Related Molecule |