Dataset
![molecular Image]()
infrared absorption spectroscopy (IR)
Chemical Info
| InChI | InChI=1S/C14H10O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-10H |
|---|---|
| SMILES | O=Cc1ccc(cc1)c1ccc(cc1)C=O |
| InChI Key | FEHLIYXNTWAEBQ-UHFFFAOYSA-N |
| Molecular Formula | C14H10O2 |
| Exact Mass | 210.228 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/FEHLIYXNTWAEBQ-UHFFFAOYSA-N/IR |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/FEHLIYXNTWAEBQ-UHFFFAOYSA-N/IR |
| Version | |
| Author | Yu-Chieh Huang |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T01:20:26.420685 |
| MetadataModified | 2024-09-07T15:27:44.254925 |
| MetadataPublished | 2019-06-27 |
| Field | Value |
|---|---|
| Measurement Technique | infrared absorption spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 10169163 | eMolecules |
| J79.021D | Nikkaji |
| CB2141118 | ChemicalBook |
| MCULE-3242332394 | Mcule |
| DTXSID60216206 | EPA CompTox Dashboard |
| ZINC000002041311 | ZINC |
| PAHVAZ | CCDC |
| 14769946 | PubChem: Thomson Pharma |
| 66-98-8 | ACToR |
| SCHEMBL976904 | SureChEMBL |
| 6200 | PubChem |
| The data in this table is sourced from UniChem at EBI. | |