Dataset
1H--1H correlation spectroscopy (1H-1H COSY)
Chemical Information
| InChI | InChI=1S/C6H2Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H |
|---|---|
| SMILES | ClC1=CC(=O)C(=CC1=O)Cl |
| InChI Key | LNXVNZRYYHFMEY-UHFFFAOYSA-N |
| Molecular Formula | C6H2Cl2O2 |
| Exact Mass | 176.985 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/LNXVNZRYYHFMEY-UHFFFAOYSA-N/CHMO0001150 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/LNXVNZRYYHFMEY-UHFFFAOYSA-N/CHMO0001150 |
| Version | |
| Author | Alex Johnson |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2024-08-07 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | 1H–1H correlation spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 69365 | Brenda |
| 107995 | Brenda |
| 204884 | Brenda |
| CB8169884 | ChemicalBook |
| 14772704 | PubChem: Thomson Pharma |
| 16130454 | PubChem: Thomson Pharma |
| 615-93-0 | ACToR |
| PD138965 | ProbesDrugs |
| 507553 | eMolecules |
| ZINC000000135776 | ZINC |
| BZQDCL | CCDC |
| CHEMBL3311439 | ChEMBL |
| DTXSID9060657 | EPA CompTox Dashboard |
| J65.481G | Nikkaji |
| 10015939 | NMRShiftDB |
| MCULE-6719499202 | Mcule |
| SCHEMBL57290 | SureChEMBL |
| 12011 | PubChem |
| The data in this table is sourced from UniChem at EBI. | |