Dataset
Ibuprofen.cosy
Chemical Info
| InChI | InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) |
|---|---|
| SMILES | CC(C)CC1=CC=C(C(C)C(=O)O)C=C1 |
| InChI Key | HEFNNWSXXWATRW-UHFFFAOYSA-N |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.280 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p9.s51.d192 |
| License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
| Source | https://nmrxiv.org/D192 |
| Version | |
| Author | |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-04-22T16:32:30.740562 |
| MetadataModified | 2025-02-03T16:04:28.077820 |
| MetadataPublished | 2022-10-28 13:22:44 |
| Related Molecule |