Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C20H12Br2O2/c21-15-9-17(23)19(13-7-3-1-5-11(13)15)20-14-8-4-2-6-12(14)16(22)10-18(20)24/h1-10,23-24H
SMILES	Oc1cc(Br)c2c(c1c1c(O)cc(c3c1cccc3)Br)cccc2
InChI Key	UAOMNDAJRKOYII-UHFFFAOYSA-N
Molecular Formula	C20H12Br2O2
Exact Mass	444.116 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/UAOMNDAJRKOYII-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/UAOMNDAJRKOYII-UHFFFAOYSA-N/CHMO0000470.1
Version
Author	Tobias Sengpiel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:05:36.636724
MetadataModified	2024-09-08T03:05:36.636730
MetadataPublished	2024-02-23

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
15522048	PubChem
J786.259H	Nikkaji
ZAMFUS	CCDC
SCHEMBL5357175	SureChEMBL
The data in this table is sourced from UniChem at EBI.