Dataset

mass spectrometry (MS)

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
Molecular Formula	C9H9BrO
Exact Mass	213.071 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/KRVGXFREOJHJAX-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/KRVGXFREOJHJAX-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:36:50.711191
MetadataModified	2024-09-08T04:36:50.711196
MetadataPublished	2024-08-30

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables