Dataset
![molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H |
|---|---|
| SMILES | Brc1cccc2c1cccc2 |
| InChI Key | DLKQHBOKULLWDQ-UHFFFAOYSA-N |
| Molecular Formula | C10H7Br |
| Exact Mass | 207.067 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/DLKQHBOKULLWDQ-UHFFFAOYSA-N/CHMO0000595 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/DLKQHBOKULLWDQ-UHFFFAOYSA-N/CHMO0000595 |
| Version | |
| Author | Fabian Schönle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T03:26:34.578404 |
| MetadataModified | 2024-09-08T03:26:34.578408 |
| MetadataPublished | 2024-05-15 |
| Field | Value |
|---|---|
| Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| MCULE-2189465084 | Mcule |
| 10016004 | NMRShiftDB |
| J32.579A | Nikkaji |
| ZINC000001693600 | ZINC |
| DECPUZ | CCDC |
| DTXSID30861681 | EPA CompTox Dashboard |
| CB5197277 | ChemicalBook |
| 7001 | PubChem |
| 90-11-9 | ACToR |
| 475359 | eMolecules |
| 976Y53P08P | FDA SRS |
| 14773214 | PubChem: Thomson Pharma |
| 27497-51-4 | ACToR |
| SCHEMBL69629 | SureChEMBL |
| The data in this table is sourced from UniChem at EBI. | |