Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C7H9BO2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3 |
---|---|
SMILES | CSc1ccccc1B(O)O |
InChI Key | QXBWTYBCNFKURT-UHFFFAOYSA-N |
Exact Mass | 168.021 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/QXBWTYBCNFKURT-UHFFFAOYSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/QXBWTYBCNFKURT-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Grace Hunt |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:19:40.436890 |
MetadataModified | 2024-09-23T09:25:40.576815 |
MetadataPublished | 2024-08-06 |
Field | Value |
---|---|
Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
2773543 | PubChem |
103022599 | PubChem: Thomson Pharma |
168618-42-6 | ACToR |
ZINC000169743387 | ZINC |
CB7116432 | ChemicalBook |
CHEMBL352894 | ChEMBL |
516830 | eMolecules |
DTXSID30378542 | EPA CompTox Dashboard |
J1.281.213B | Nikkaji |
MolPort-000-139-853 | MolPort |
20209525 | NMRShiftDB |
SCHEMBL24389 | SureChEMBL |
MCULE-9344913922 | Mcule |
The data in this table is sourced from UniChem at EBI. |