Dataset
![molecular Image]()
1H--1H correlation spectroscopy (1H-1H COSY)
Chemical Info
| InChI | InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11) |
|---|---|
| SMILES | O=C1C(=O)Nc2c1cccc2 |
| InChI Key | JXDYKVIHCLTXOP-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO2 |
| Exact Mass | 147.131 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/JXDYKVIHCLTXOP-UHFFFAOYSA-N/CHMO0001150 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/JXDYKVIHCLTXOP-UHFFFAOYSA-N/CHMO0001150 |
| Version | |
| Author | Grace Hunt |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T04:26:36.593148 |
| MetadataModified | 2024-09-08T04:26:36.593153 |
| MetadataPublished | 2024-08-07 |
| Field | Value |
|---|---|
| Measurement Technique | 1H–1H correlation spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| HY-Y0265 | MedChemExpress |
| ISATIN | CCDC |
| 11022 | BindingDB |
| J4.342G | Nikkaji |
| ZINC000002047514 | ZINC |
| DTXSID3038694 | EPA CompTox Dashboard |
| DB02095 | DrugBank |
| C11129 | KEGG Ligand |
| CHEMBL326294 | ChEMBL |
| 27539 | ChEBI |
| ISN | PDBe |
| CB2447182 | ChemicalBook |
| 27539 | Rhea |
| HMDB0061933 | Human Metabolome Database |
| 163986 | Brenda |
| 135332 | Brenda |
| 805 | Brenda |
| MTBLC27539 | Metabolights |
| 227241 | Brenda |
| J608.794I | Nikkaji |
| 479001 | eMolecules |
| 15165149 | PubChem: Thomson Pharma |
| PD008558 | ProbesDrugs |
| SCHEMBL34016 | SureChEMBL |
| 91-56-5 | ACToR |
| 5815-00-9 | ACToR |
| 82X95S7M06 | FDA SRS |
| 10006008 | NMRShiftDB |
| 7054 | PubChem |
| MCULE-2273580482 | Mcule |
| The data in this table is sourced from UniChem at EBI. | |