Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C15H9BrINO/c16-14-11-5-2-1-4-10(11)7-8-13(14)19-15-12(17)6-3-9-18-15/h1-9H
SMILES Ic1cccnc1Oc1ccc2c(c1Br)cccc2
InChI Key HEJRWAHGCHPOOZ-UHFFFAOYSA-N
Molecular Formula C15H9BrINO
Exact Mass 426.047 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HEJRWAHGCHPOOZ-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/HEJRWAHGCHPOOZ-UHFFFAOYSA-N/CHMO0000599
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:15:58.106958
MetadataModified 2025-01-29T16:09:04.719385
MetadataPublished 2024-10-16
Related Molecule
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
temperature : 300.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

title : SG-V4304 Waschen

date : 20240828

starting time : 15.25 h

instrument : spect

label : SG-3812

id : 321910

Solvent : DMSO

Data-Source Molecule ID Data-Source
No additional information available for this Dataset.