Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2
SMILES NCc1ccccn1
InChI Key WOXFMYVTSLAQMO-UHFFFAOYSA-N
Exact Mass 108.141 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WOXFMYVTSLAQMO-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/WOXFMYVTSLAQMO-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-24
Related Molecule
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Date : 2025-08-15

Start time : 15:47:20 UTC

Creator : Simone Gräßle

Label : CCP-3735

ID : 382630

Solvent : CDCl3

Temperature : 298.001354545586 K K

Puls programme : deptsp90

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
CHEBI:81387 chebi
APY rcsb_pdb
CHEMBL32189 chembl
29375684 surechembl
40328 surechembl
19509 pubchem
XK7252M2PA fdasrs
XEXYOP CCDC
110081 brenda
11538 brenda
12004 brenda
75877 brenda
Molport-000-151-149 molport
The data in this table is sourced from UniChem at EBI.