Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Information

InChI	InChI=1S/C12H11BrO/c1-8-9(6-7-12(8)14)10-4-2-3-5-11(10)13/h2-5H,6-7H2,1H3
SMILES	O=C1CCC(=C1C)c1ccccc1Br
InChI Key	JIVYDUPDRZGIKL-UHFFFAOYSA-N
Exact Mass	251.119 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JIVYDUPDRZGIKL-UHFFFAOYSA-N/CHMO0000485
License URL
Source	https://www.chemotion-repository.net/inchikey/JIVYDUPDRZGIKL-UHFFFAOYSA-N/CHMO0000485
Version
Author	Thorsten Bach
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-24
Related Molecule

Field	Value
Measurement Technique	high-resolution electrospray ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.