Dataset
![molecular Image]()
mass spectrometry (MS)
Chemical Info
| InChI | InChI=1S/C25H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H |
|---|---|
| SMILES | c1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChI Key | PEQHIRFAKIASBK-UHFFFAOYSA-N |
| Molecular Formula | C25H20 |
| Exact Mass | 320.426 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/PEQHIRFAKIASBK-UHFFFAOYSA-N/CHMO0000470 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/PEQHIRFAKIASBK-UHFFFAOYSA-N/CHMO0000470 |
| Version | |
| Author | Yannick Matt |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T03:22:25.908694 |
| MetadataModified | 2024-09-07T18:15:00.675381 |
| MetadataPublished | 2020-06-23 |
| Field | Value |
|---|---|
| Measurement Technique | mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| J53.692J | Nikkaji |
| TEPHME | CCDC |
| DTXSID30212215 | EPA CompTox Dashboard |
| CB3371369 | ChemicalBook |
| 711736 | eMolecules |
| 12424 | PubChem |
| 630-76-2 | ACToR |
| 16316289 | PubChem: Thomson Pharma |
| 10016569 | NMRShiftDB |
| SCHEMBL230628 | SureChEMBL |
| MCULE-4909390516 | Mcule |
| ZINC000006843913 | ZINC |
| The data in this table is sourced from UniChem at EBI. | |