Dataset
![molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11 |
|---|---|
| SMILES | ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl |
| InChI Key | UGNWTBMOAKPKBL-UHFFFAOYSA-N |
| Molecular Formula | C6Cl4O2 |
| Exact Mass | 245.875 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/UGNWTBMOAKPKBL-UHFFFAOYSA-N/CHMO0000595.1 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/UGNWTBMOAKPKBL-UHFFFAOYSA-N/CHMO0000595.1 |
| Version | |
| Author | Sylvia Vanderheiden-Schroen |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2025-02-04T13:27:53.478445 |
| MetadataModified | 2025-02-04T13:27:53.478451 |
| MetadataPublished | 2025-01-08 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 8371 | PubChem |
| PD001230 | ProbesDrugs |
| 14844031 | PubChem: Thomson Pharma |
| 118-75-2 | ACToR |
| SCHEMBL24049 | SureChEMBL |
| 01W5X7N5XV | FDA SRS |
| 490307 | eMolecules |
| 10015934 | NMRShiftDB |
| MCULE-7076963744 | Mcule |
| CB7719639 | ChemicalBook |
| 36703 | Rhea |
| 37385 | Brenda |
| 57467 | Brenda |
| 21386 | Brenda |
| 25527 | Brenda |
| 9564 | Brenda |
| MTBLC36703 | Metabolights |
| 17691 | Brenda |
| DTXSID2020266 | EPA CompTox Dashboard |
| ZINC000000240941 | ZINC |
| 22782 | BindingDB |
| HMDB0250089 | Human Metabolome Database |
| TCBENQ | CCDC |
| J5.304J | Nikkaji |
| CHEMBL192627 | ChEMBL |
| 36703 | ChEBI |
| C18933 | KEGG Ligand |
| The data in this table is sourced from UniChem at EBI. | |