Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H6Br2O3/c1-3(11)6-7(12)4(9)2-5(10)8(6)13/h2,12-13H,1H3
SMILES CC(=O)c1c(O)c(Br)cc(c1O)Br
InChI Key GHPWLLSLLWHDPT-UHFFFAOYSA-N
Exact Mass 309.939 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GHPWLLSLLWHDPT-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/GHPWLLSLLWHDPT-UHFFFAOYSA-N/CHMO0000599
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:36:13.459746
MetadataModified 2024-09-23T09:26:55.951081
MetadataPublished 2024-08-30
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
temperature : 300.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

title : SG-V4075(10-20)

date : 20240112

starting time : 9.02 h

instrument : spect

label : SG-3482

id : 290385

Solvent : chloroform-D1 (CDCl3)