Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H9BrO4/c1-6(12)15-9-4-2-3-7(13)10(9)8(14)5-11/h2-4,13H,5H2,1H3
SMILES BrCC(=O)c1c(cccc1O)OC(=O)C
InChI Key GHBMCQRVMQONSY-UHFFFAOYSA-N
Molecular Formula C10H9BrO4
Exact Mass 273.080 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GHBMCQRVMQONSY-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/GHBMCQRVMQONSY-UHFFFAOYSA-N/CHMO0000630
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:37:39.714793
MetadataModified 2024-09-08T04:37:39.714799
MetadataPublished 2024-08-30
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables