Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C11H8Br2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
SMILES	BrC(c1ccc2c(c1)cccc2)Br
InChI Key	MJZLPJYZFMSVDU-UHFFFAOYSA-N
Molecular Formula	C11H8Br2
Exact Mass	299.989 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MJZLPJYZFMSVDU-UHFFFAOYSA-N/CHMO0000630
License URL
Source	https://www.chemotion-repository.net/inchikey/MJZLPJYZFMSVDU-UHFFFAOYSA-N/CHMO0000630
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:46:59.964516
MetadataModified	2024-09-08T03:46:59.964521
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
11150720	PubChem
SCHEMBL1538959	SureChEMBL
16229415	PubChem: Thomson Pharma
DTXSID40457054	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.