Dataset
![molecular Image]()
57946-61-9.
Chemical Info
| InChI | InChI=1S/C8H8F3NO/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h1-4H,5,12H2 |
|---|---|
| SMILES | NC1=CC=C(OCC(F)(F)F)C=C1 |
| InChI Key | OXFDNUZWKFKMSB-UHFFFAOYSA-N |
| Molecular Formula | C8H8F3NO |
| Exact Mass | 191.150 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p10.s67.d353 |
| License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
| Source | https://nmrxiv.org/D353 |
| Version | |
| Author | |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-05-15T08:40:33.051852 |
| MetadataModified | 2024-09-23T09:37:30.086682 |
| MetadataPublished | 2022-10-28 13:30:58 |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 871203 | eMolecules |
| SCHEMBL9682 | SureChEMBL |
| 2777119 | PubChem |
| MCULE-7759311440 | Mcule |
| MolPort-000-873-408 | MolPort |
| ZINC000002555218 | ZINC |
| 60004996 | NMRShiftDB |
| DTXSID30380382 | EPA CompTox Dashboard |
| J2.992.212H | Nikkaji |
| CB31500157 | ChemicalBook |
| The data in this table is sourced from UniChem at EBI. | |