Dataset
![molecular Image]()
attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
Chemical Info
| InChI | InChI=1S/C16H15Br/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2 |
|---|---|
| SMILES | Brc1cc2CCc3ccc(CCc1cc2)cc3 |
| InChI Key | RJOYWTPJYZNRJD-UHFFFAOYSA-N |
| Molecular Formula | C16H15Br |
| Exact Mass | 287.194 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/RJOYWTPJYZNRJD-UHFFFAOYSA-N/CHMO0000763 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/RJOYWTPJYZNRJD-UHFFFAOYSA-N/CHMO0000763 |
| Version | |
| Author | Jasmin Seibert |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T04:17:25.531839 |
| MetadataModified | 2024-09-08T04:17:25.531845 |
| MetadataPublished | 2024-07-26 |
| Field | Value |
|---|---|
| Measurement Technique | attenuated total reflectance Fourier transform infrared spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| SCHEMBL2262585 | SureChEMBL |
| J638.003D | Nikkaji |
| ZINC000003123046 | ZINC |
| DTXSID20453170 | EPA CompTox Dashboard |
| CB9463013 | ChemicalBook |
| 1105307 | eMolecules |
| 16109816 | PubChem: Thomson Pharma |
| 11044379 | PubChem |
| The data in this table is sourced from UniChem at EBI. | |