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 |
|---|---|
| CHEMBL3311439 | chembl |
| 57290 | surechembl |
| 12011 | pubchem |
| PD138965 | probes_and_drugs |
| BZQDCL | CCDC |
| 107995 | brenda |
| 204884 | brenda |
| 69365 | brenda |
| Molport-002-894-018 | molport |
| The data in this table is sourced from UniChem at EBI. | |