Dataset

mass spectrometry (MS)

Chemical Information

InChI	InChI=1S/C16H14Br2/c17-15-9-11-1-2-12-4-6-14(16(18)10-12)8-7-13(15)5-3-11/h3-6,9-10H,1-2,7-8H2
SMILES	Brc1cc2CCc3ccc(CCc1cc2)c(c3)Br
InChI Key	YTVHCBMSDDDSSN-UHFFFAOYSA-N
Molecular Formula	C16H14Br2
Exact Mass	366.090 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YTVHCBMSDDDSSN-UHFFFAOYSA-N/CHMO0000470.2
License URL
Source	https://www.chemotion-repository.net/inchikey/YTVHCBMSDDDSSN-UHFFFAOYSA-N/CHMO0000470.2
Version
Author	Yuting Li
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-03-17
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
10992162	pubchem
VIXHAL	CCDC
Molport-047-353-077	molport
The data in this table is sourced from UniChem at EBI.