Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H13BrO2/c1-14-8-5-7-3-2-4-10(13)11(7)9(12)6-8/h5-6,10,13H,2-4H2,1H3
SMILES	COc1cc2CCCC(c2c(c1)Br)O
InChI Key	AEXVLWUCIQKDMV-UHFFFAOYSA-N
Molecular Formula	C11H13BrO2
Exact Mass	257.124 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AEXVLWUCIQKDMV-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/AEXVLWUCIQKDMV-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simon Oßwald
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:31:11.564770
MetadataModified	2024-09-08T01:31:11.564774
MetadataPublished	2023-08-22
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168499153	PubChem
The data in this table is sourced from UniChem at EBI.