Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C8H4Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H
SMILES Clc1nc2ccccc2nc1Cl
InChI Key SPSSDDOTEZKOOV-UHFFFAOYSA-N
Molecular Formula C8H4Cl2N2
Exact Mass 199.037 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SPSSDDOTEZKOOV-UHFFFAOYSA-N/CHMO0000596.3
License URL
Source https://www.chemotion-repository.net/inchikey/SPSSDDOTEZKOOV-UHFFFAOYSA-N/CHMO0000596.3
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-10-09
Related Molecule
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Date : 2025-09-30

Start time : 13:48:28 UTC

Creator : Jana Barylko

Label : CCP-3062

ID : 231267

Solvent : DMSO

Temperature : 298.002402529057 K K

Puls programme : deptsp135

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
CHEMBL445957 chembl
116696 surechembl
29451077 surechembl
16659 pubchem
3V2TXX4YAZ fdasrs
EGOSOK CCDC
Molport-000-732-764 molport
The data in this table is sourced from UniChem at EBI.