Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C6H4ClF3N2/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H,(H2,11,12)
SMILES Nc1ncc(cc1Cl)C(F)(F)F
InChI Key WXNPZQIRDCDLJD-UHFFFAOYSA-N
Molecular Formula C6H4ClF3N2
Exact Mass 196.558 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WXNPZQIRDCDLJD-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/WXNPZQIRDCDLJD-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-02-04T13:27:26.397319
MetadataModified 2025-02-04T13:27:26.397327
MetadataPublished 2025-01-08
Related Molecule
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Data-Source Molecule ID Data-Source
GITKUQ CCDC
J43.111G Nikkaji
194671 ChEBI
CHEMBL5407211 ChEMBL
ZINC000018996097 ZINC
DTXSID00345807 EPA CompTox Dashboard
CB2331315 ChemicalBook
CB9331314 ChemicalBook
501242 eMolecules
16215251 PubChem: Thomson Pharma
SCHEMBL119730 SureChEMBL
MCULE-8456766174 Mcule
20200941 NMRShiftDB
607248 PubChem
The data in this table is sourced from UniChem at EBI.