Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C6H3Br2F/c7-4-2-1-3-5(8)6(4)9/h1-3H
SMILES Brc1cccc(c1F)Br
InChI Key GPPYYGWYUFOWSR-UHFFFAOYSA-N
Exact Mass 253.894 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GPPYYGWYUFOWSR-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/GPPYYGWYUFOWSR-UHFFFAOYSA-N/CHMO0001146
Version
Author André Jung
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:26:00.642151
MetadataModified 2024-09-23T09:23:10.097893
MetadataPublished 2024-05-15
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
temperature : 300.1 K

PULPROG : hsqcedetgp

number of scans : 2 scans

title : AJ-CCP-3091

date : 20231208

starting time : 16.40 h

instrument : spect

label : CCP-2934

id : 231139

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
36771642 eMolecules
14071460 PubChem
SCHEMBL362461 SureChEMBL
CB72609389 ChemicalBook
ZINC000071792119 ZINC
DTXSID10555435 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.