Dataset
![molecular Image]()
correlation spectroscopy (COSY)
Chemical Info
| InChI | InChI=1S/C5H5N.ClH/c1-2-4-6-5-3-1;/h1-5H;1H |
|---|---|
| SMILES | c1cccnc1.Cl |
| InChI Key | AOJFQRQNPXYVLM-UHFFFAOYSA-N |
| Molecular Formula | C5H6ClN |
| Exact Mass | 115.561 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/AOJFQRQNPXYVLM-UHFFFAOYSA-N/CHMO0000599 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/AOJFQRQNPXYVLM-UHFFFAOYSA-N/CHMO0000599 |
| Version | |
| Author | Fabian Schönle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T04:33:24.877330 |
| MetadataModified | 2024-09-08T04:33:24.877334 |
| MetadataPublished | 2024-08-26 |
| Field | Value |
|---|---|
| Measurement Technique | correlation spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 12777679 | PubChem |
| 10176127 | PubChem |
| MolPort-003-928-425 | MolPort |
| 22666620 | PubChem |
| 1U87419851 | FDA SRS |
| 628-13-7 | ACToR |
| 491173 | eMolecules |
| 15170554 | PubChem: Thomson Pharma |
| 15170555 | PubChem: Thomson Pharma |
| 69401 | PubChem |
| SCHEMBL23609 | SureChEMBL |
| DTXSID6027262 | EPA CompTox Dashboard |
| CB0725473 | ChemicalBook |
| The data in this table is sourced from UniChem at EBI. | |