Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C7H4BrFN2/c8-5-2-1-4(3-10)7(11)6(5)9/h1-2H,11H2
SMILES N#Cc1ccc(c(c1N)F)Br
InChI Key JYLJOBZPUMLBHA-UHFFFAOYSA-N
Exact Mass 215.022 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JYLJOBZPUMLBHA-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/JYLJOBZPUMLBHA-UHFFFAOYSA-N/CHMO0000596
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 : 23:09:45 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : SVS-3987

ID : 385668

Solvent : CDCl3

Temperature : 298.000096965419 K K

Puls programme : deptsp135

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
99770094 PubChem
CB72698798 ChemicalBook
ZINC000169797924 ZINC
The data in this table is sourced from UniChem at EBI.