Dataset
![molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C8H10S/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3 |
|---|---|
| SMILES | Sc1ccc(c(c1)C)C |
| InChI Key | IDKCKPBAFOIONK-UHFFFAOYSA-N |
| Molecular Formula | C8H10S |
| Exact Mass | 138.230 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/IDKCKPBAFOIONK-UHFFFAOYSA-N/CHMO0000595 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/IDKCKPBAFOIONK-UHFFFAOYSA-N/CHMO0000595 |
| Version | |
| Author | Grace Hunt |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T04:29:16.212650 |
| MetadataModified | 2024-09-08T04:29:16.212655 |
| MetadataPublished | 2024-08-09 |
| Field | Value |
|---|---|
| Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| SCHEMBL91378 | SureChEMBL |
| J155.604E | Nikkaji |
| CB7480786 | ChemicalBook |
| 493416 | eMolecules |
| L4F41SS351 | FDA SRS |
| ZINC000019230163 | ZINC |
| DTXSID4066418 | EPA CompTox Dashboard |
| 26517050 | PubChem: Thomson Pharma |
| 87799 | PubChem |
| 18800-53-8 | ACToR |
| The data in this table is sourced from UniChem at EBI. | |