Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C7H4BrFN2/c8-4-1-6(9)5(3-10)7(11)2-4/h1-2H,11H2
SMILES N#Cc1c(N)cc(cc1F)Br
InChI Key MIQCEWVIFALFRN-UHFFFAOYSA-N
Exact Mass 215.022 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MIQCEWVIFALFRN-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/MIQCEWVIFALFRN-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-09-09
Related Molecule
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Date : 2025-09-03

Start time : 19:12:42 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : SVS-3986

ID : 385658

Solvent : CDCl3

Temperature : 297.99985742634 K K

Puls programme : deptsp90

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
56973649 PubChem
SCHEMBL15674088 SureChEMBL
ZINC000146420612 ZINC
CB82596585 ChemicalBook
The data in this table is sourced from UniChem at EBI.