Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Info
InChI | InChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H |
---|---|
SMILES | O=Cc1ccc(c(c1)Cl)Cl |
InChI Key | ZWUSBSHBFFPRNE-UHFFFAOYSA-N |
Molecular Formula | C7H4Cl2O |
Exact Mass | 175.012 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/ZWUSBSHBFFPRNE-UHFFFAOYSA-N/CHMO0000596.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/ZWUSBSHBFFPRNE-UHFFFAOYSA-N/CHMO0000596.1 |
Version | |
Author | Sylvia Vanderheiden-Schroen |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:03:00.737307 |
MetadataModified | 2024-09-08T04:03:00.737312 |
MetadataPublished | 2024-07-05 |
Field | Value |
---|---|
Measurement Technique | distortionless enhancement with polarization transfer |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
ZINC000000151791 | ZINC |
DTXSID0024971 | EPA CompTox Dashboard |
I6Z632WSJ5 | FDA SRS |
50461952 | BindingDB |
CB8100944 | ChemicalBook |
128276 | Brenda |
15114545 | PubChem: Thomson Pharma |
6287-38-3 | ACToR |
SCHEMBL48577 | SureChEMBL |
22710 | PubChem |
J30.721A | Nikkaji |
AZIBER | CCDC |
MCULE-2921750767 | Mcule |
30096610 | NMRShiftDB |
500421 | eMolecules |
CHEMBL1528012 | ChEMBL |
The data in this table is sourced from UniChem at EBI. |