Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C7H4F2N2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2
SMILES N#Cc1cc(F)cc(c1N)F
InChI Key CNKCTXYYABVMLS-UHFFFAOYSA-N
Exact Mass 154.117 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CNKCTXYYABVMLS-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/CNKCTXYYABVMLS-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-09-16
Related Molecule
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Date : 2025-09-16

Start time : 01:37:13 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : SVS-4002

ID : 387273

Solvent : CDCl3

Temperature : 298.002282759518 K K

Puls programme : deptsp135

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
2652439 surechembl
14651990 pubchem
Molport-004-813-499 molport
The data in this table is sourced from UniChem at EBI.