Dataset
![molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2 |
|---|---|
| SMILES | BrCc1ccc(cc1)C#N |
| InChI Key | UMLFTCYAQPPZER-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrN |
| Exact Mass | 196.044 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/UMLFTCYAQPPZER-UHFFFAOYSA-N/13CNMR |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/UMLFTCYAQPPZER-UHFFFAOYSA-N/13CNMR |
| Version | |
| Author | Steven Susanto |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T00:51:53.739694 |
| MetadataModified | 2024-09-07T14:46:05.533203 |
| MetadataPublished | 2019-02-12 |
| Field | Value |
|---|---|
| Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 481826 | eMolecules |
| MCULE-9419142227 | Mcule |
| J266.795I | Nikkaji |
| 74916 | NMRShiftDB |
| SCHEMBL531 | SureChEMBL |
| 86996 | PubChem |
| 14773011 | PubChem: Thomson Pharma |
| 17201-43-3 | ACToR |
| ZINC000001621442 | ZINC |
| RV332B84ZG | FDA SRS |
| CB7279647 | ChemicalBook |
| DTXSID40864744 | EPA CompTox Dashboard |
| The data in this table is sourced from UniChem at EBI. | |