Dataset
![molecular Image]()
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
| InChI | InChI=1S/C13H12O2/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12/h2-10H,1H3 |
|---|---|
| SMILES | COc1ccc(cc1)Oc1ccccc1 |
| InChI Key | ZRJGNCLNUWKEFU-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2 |
| Exact Mass | 200.233 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/ZRJGNCLNUWKEFU-UHFFFAOYSA-N/NMR/1H/CDCl3/400 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/ZRJGNCLNUWKEFU-UHFFFAOYSA-N/NMR/1H/CDCl3/400 |
| Version | |
| Author | Nicole Jung |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-06T23:49:28.821428 |
| MetadataModified | 2024-09-07T13:10:21.229593 |
| MetadataPublished | 2014-05-27 |
| Field | Value |
|---|---|
| Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 2740364 | eMolecules |
| CHEMBL398021 | ChEMBL |
| MCULE-6923583673 | Mcule |
| J99.605J | Nikkaji |
| 74253 | PubChem |
| 16300699 | PubChem: Thomson Pharma |
| 1655-69-2 | ACToR |
| SCHEMBL491503 | SureChEMBL |
| ZINC000001561846 | ZINC |
| DTXSID2061852 | EPA CompTox Dashboard |
| The data in this table is sourced from UniChem at EBI. | |