Dataset
![molecular Image]()
correlation spectroscopy (COSY)
Chemical Info
| InChI | InChI=1S/C15H14O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,1-2H3 |
|---|---|
| SMILES | CC1(C)c2ccccc2Oc2c1cccc2 |
| InChI Key | MTVNAPYHLASOSX-UHFFFAOYSA-N |
| Molecular Formula | C15H14O |
| Exact Mass | 210.271 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/MTVNAPYHLASOSX-UHFFFAOYSA-N/CHMO0000599 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/MTVNAPYHLASOSX-UHFFFAOYSA-N/CHMO0000599 |
| Version | |
| Author | Fabian Schönle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T03:21:41.400325 |
| MetadataModified | 2024-09-08T03:21:41.400330 |
| MetadataPublished | 2024-04-25 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | correlation spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 30101735 | NMRShiftDB |
| MCULE-7056512116 | Mcule |
| 606997 | PubChem |
| CB0783558 | ChemicalBook |
| SCHEMBL47009 | SureChEMBL |
| 24774994 | PubChem: Thomson Pharma |
| 502703 | eMolecules |
| 19814-75-6 | ACToR |
| J784.399B | Nikkaji |
| ZINC000001081165 | ZINC |
| DTXSID00345781 | EPA CompTox Dashboard |
| The data in this table is sourced from UniChem at EBI. | |