Dataset

correlation spectroscopy (COSY)

Chemical Info

InChI	InChI=1S/C9H9BrO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5H,6H2,1H3
SMILES	BrCC(=O)c1ccc(cc1)C
InChI Key	KRVGXFREOJHJAX-UHFFFAOYSA-N
Exact Mass	213.071 g/mol

Data and Resources

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Metadata Information

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• Measurement

Field	Value
DOI	10.14272/KRVGXFREOJHJAX-UHFFFAOYSA-N/CHMO0000599
License URL
Source	https://www.chemotion-repository.net/inchikey/KRVGXFREOJHJAX-UHFFFAOYSA-N/CHMO0000599
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:37:00.582397
MetadataModified	2024-09-23T09:27:00.770858
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-V4150 (10-13) date : 20240308 starting time : 15.24 h instrument : spect label : SG-3574 id : 298322 Solvent : chloroform-D1 (CDCl3)