Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Info
InChI | InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-5(2-4-6)7(9,10)11/h1-4H |
---|---|
SMILES | FC(c1ccc(cc1)S(=O)(=O)Cl)(F)F |
InChI Key | OZDCZHDOIBUGAJ-UHFFFAOYSA-N |
Exact Mass | 244.619 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/OZDCZHDOIBUGAJ-UHFFFAOYSA-N/CHMO0000596.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/OZDCZHDOIBUGAJ-UHFFFAOYSA-N/CHMO0000596.1 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:23:06.364368 |
MetadataModified | 2024-09-23T09:25:55.405726 |
MetadataPublished | 2024-08-07 |
Field | Value |
---|---|
Measurement Technique | distortionless enhancement with polarization transfer |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
522091 | eMolecules |
DTXSID50380506 | EPA CompTox Dashboard |
MolPort-000-146-853 | MolPort |
CB9695812 | ChemicalBook |
ZINC000059796774 | ZINC |
16010395 | PubChem: Thomson Pharma |
2777399 | PubChem |
J1.687.297K | Nikkaji |
SCHEMBL61336 | SureChEMBL |
MCULE-9687621736 | Mcule |
The data in this table is sourced from UniChem at EBI. |