Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C9H9BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3
SMILES	BrCC(=O)c1ccc(cc1)OC
InChI Key	XQJAHBHCLXUGEP-UHFFFAOYSA-N
Molecular Formula	C9H9BrO2
Exact Mass	229.071 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/XQJAHBHCLXUGEP-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/XQJAHBHCLXUGEP-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:30:40.169783
MetadataModified	2024-09-08T04:30:40.169789
MetadataPublished	2024-08-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables