Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
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/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/IDKCKPBAFOIONK-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Grace Hunt |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:29:20.879995 |
MetadataModified | 2024-09-08T04:29:20.880000 |
MetadataPublished | 2024-08-09 |
Field | Value |
---|---|
Measurement Technique | 1H–13C heteronuclear single quantum coherence |
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. |