Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C18H16Br2/c19-18(20)12-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2
SMILES	BrC(=Cc1cc2CCc3ccc(CCc1cc2)cc3)Br
InChI Key	QTMOJOFFVQKIIZ-UHFFFAOYSA-N
Molecular Formula	C18H16Br2
Exact Mass	392.128 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QTMOJOFFVQKIIZ-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/QTMOJOFFVQKIIZ-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:05:38.508788
MetadataModified	2024-09-07T16:32:27.005256
MetadataPublished	2020-02-11

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145915837	PubChem
WEYLOC	CCDC
The data in this table is sourced from UniChem at EBI.