Dataset

infrared absorption spectroscopy (IR)

Chemical Information

InChI	InChI=1S/C12H7Br2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H
SMILES	Brc1ccc2c(c1)c1cc(Br)ccc1[nH]2
InChI Key	FIHILUSWISKVSR-UHFFFAOYSA-N
Molecular Formula	C12H7Br2N
Exact Mass	324.999 g/mol

Data and Resources

• infrared absorption spectroscopy (IR)HTML
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• chmo0000630

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FIHILUSWISKVSR-UHFFFAOYSA-N/CHMO0000630.1
License URL
Source	https://www.chemotion-repository.net/inchikey/FIHILUSWISKVSR-UHFFFAOYSA-N/CHMO0000630.1
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-10-22
Related Molecule

Field	Value
Measurement Technique	CHMO:0000630
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEBI:201173	chebi
CHEMBL5075756	chembl
29366993	surechembl
38602	surechembl
274874	pubchem
PD220474	probes_and_drugs
MASBUE	CCDC
Molport-001-789-370	molport
The data in this table is sourced from UniChem at EBI.