Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
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
Temperature : 300.0 K K

Puls programme : deptsp90

Number of scans : 256

Title : SG-CCP-3757

Date : 20240719

Start time : 8.47 h

Instrument : spect

Label : SGV-3455

ID : 119458

Solvent : chloroform-D1 (CDCl3)

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.