Dataset
Thymoquinone.cosy
Chemical Info
| InChI | InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3 |
|---|---|
| SMILES | CC1=CC(=O)C(C(C)C)=CC1=O |
| InChI Key | KEQHJBNSCLWCAE-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.200 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p36.s228.d1314 |
| License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
| Source | https://nmrxiv.org/D1314 |
| Version | |
| Author | Sandro Spiller, Peter Mettke, Hans-Ullrich Siehl, Klaus-Peter Zeller, Dieter Sicker, Prof. Dr. Stefan Berger |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-04-22T15:45:58.208496 |
| MetadataModified | 2024-09-23T09:29:18.884829 |
| MetadataPublished | 2023-12-21 15:48:20 |
| Related Molecule |