Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H4BrIO4/c9-3-1-4(7(11)12)6(10)5(2-3)8(13)14/h1-2H,(H,11,12)(H,13,14)
SMILES Brc1cc(C(=O)O)c(c(c1)C(=O)O)I
InChI Key AXKNIHOOTXODNH-UHFFFAOYSA-N
Exact Mass 370.923 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AXKNIHOOTXODNH-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/AXKNIHOOTXODNH-UHFFFAOYSA-N/CHMO0000630
Version
Author Janine Haug
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-09-16
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
23880567 surechembl
121229103 pubchem
Molport-047-970-160 molport
The data in this table is sourced from UniChem at EBI.