Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4H |
---|---|
SMILES | Fc1cccc(c1)S(=O)(=O)Cl |
InChI Key | OKYSUJVCDXZGKE-UHFFFAOYSA-N |
Exact Mass | 194.611 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/OKYSUJVCDXZGKE-UHFFFAOYSA-N/CHMO0000595 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/OKYSUJVCDXZGKE-UHFFFAOYSA-N/CHMO0000595 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:23:31.477880 |
MetadataModified | 2024-09-23T09:26:00.033151 |
MetadataPublished | 2024-08-07 |
Field | Value |
---|---|
Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
MCULE-6146966046 | Mcule |
2734258 | PubChem |
518080 | eMolecules |
16448022 | PubChem: Thomson Pharma |
SCHEMBL67448 | SureChEMBL |
701-27-9 | ACToR |
ZINC000059796721 | ZINC |
CB6735089 | ChemicalBook |
DTXSID00370179 | EPA CompTox Dashboard |
J1.580.424F | Nikkaji |
MolPort-000-146-973 | MolPort |
The data in this table is sourced from UniChem at EBI. |