Dataset
![molecular Image]()
1H--1H correlation spectroscopy (1H-1H COSY)
Chemical Info
| InChI | InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3 |
|---|---|
| SMILES | Cc1ccc(cc1)C(=O)C |
| InChI Key | GNKZMNRKLCTJAY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
| Exact Mass | 134.175 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/GNKZMNRKLCTJAY-UHFFFAOYSA-N/CHMO0001150 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/GNKZMNRKLCTJAY-UHFFFAOYSA-N/CHMO0001150 |
| Version | |
| Author | Grace Hunt |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T04:24:43.187486 |
| MetadataModified | 2024-09-08T04:24:43.187491 |
| MetadataPublished | 2024-08-07 |
| Field | Value |
|---|---|
| Measurement Technique | 1H–1H correlation spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL271871 | ChEMBL |
| ZINC000001699969 | ZINC |
| DTXSID9044374 | EPA CompTox Dashboard |
| EVUZOK | CCDC |
| 254796 | Brenda |
| J2.926B | Nikkaji |
| HY-W012653 | MedChemExpress |
| SCHEMBL55409 | SureChEMBL |
| 14818217 | PubChem: Thomson Pharma |
| 122-00-9 | ACToR |
| AX66V0KX3Y | FDA SRS |
| 178626 | ChEBI |
| PD158295 | ProbesDrugs |
| 8500 | PubChem |
| MCULE-5591471266 | Mcule |
| 10024884 | NMRShiftDB |
| HMDB0032608 | Human Metabolome Database |
| 76056 | Brenda |
| 7564 | Brenda |
| CB5852945 | ChemicalBook |
| 527630 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |