Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H9BrO/c1-13-9-6-8-4-2-3-5-10(8)11(12)7-9/h2-7H,1H3
SMILES	COc1cc(Br)c2c(c1)cccc2
InChI Key	GPVSVDNPAVXAQT-UHFFFAOYSA-N
Molecular Formula	C11H9BrO
Exact Mass	237.093 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GPVSVDNPAVXAQT-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/GPVSVDNPAVXAQT-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simon Oßwald
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:29:40.135377
MetadataModified	2024-09-08T01:29:40.135381
MetadataPublished	2023-08-22

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
13025837	PubChem
SCHEMBL5782272	SureChEMBL
CB93039000	ChemicalBook
ZINC000039374860	ZINC
The data in this table is sourced from UniChem at EBI.