Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C12H6Br2N2/c13-9-3-5-15-11-7(9)1-2-8-10(14)4-6-16-12(8)11/h1-6H
SMILES Brc1ccnc2c1ccc1c2nccc1Br
InChI Key AKZAIDYHEKUXBU-UHFFFAOYSA-N
Exact Mass 337.997 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AKZAIDYHEKUXBU-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/AKZAIDYHEKUXBU-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-24
Related Molecule
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Date : 2025-07-31

Start time : 10:57:27 UTC

Creator : Fabian Schönle

Label : CCP-3729

ID : 379252

Solvent : CDCl3

Temperature : 298.00156414228 K K

Puls programme : deptsp135

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
2206337 surechembl
11393583 pubchem
DTXSID90464571 comptox
Molport-028-746-350 molport
The data in this table is sourced from UniChem at EBI.