Dataset
![molecular Image]()
mass spectrometry (MS)
Chemical Info
| InChI | InChI=1S/C16H14O2/c1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3 |
|---|---|
| SMILES | CC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)C |
| InChI Key | YSTSBXDVNKYPTR-UHFFFAOYSA-N |
| Molecular Formula | C16H14O2 |
| Exact Mass | 238.281 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/YSTSBXDVNKYPTR-UHFFFAOYSA-N/CHMO0000470 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/YSTSBXDVNKYPTR-UHFFFAOYSA-N/CHMO0000470 |
| Version | |
| Author | Yannick Matt |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T03:42:58.099758 |
| MetadataModified | 2024-09-07T18:42:14.246191 |
| MetadataPublished | 2020-08-26 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 301558 | PubChem |
| MCULE-9820333901 | Mcule |
| CB1224519 | ChemicalBook |
| 15464849 | PubChem: Thomson Pharma |
| 787-69-9 | ACToR |
| SCHEMBL197130 | SureChEMBL |
| 489750 | eMolecules |
| ZINC000000056557 | ZINC |
| J79.953J | Nikkaji |
| DTXSID80306719 | EPA CompTox Dashboard |
| The data in this table is sourced from UniChem at EBI. | |