Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C8H7BrO3/c9-4-7(12)8-5(10)2-1-3-6(8)11/h1-3,10-11H,4H2
SMILES BrCC(=O)c1c(O)cccc1O
InChI Key NDRBKOJQTCWMGZ-UHFFFAOYSA-N
Molecular Formula C8H7BrO3
Exact Mass 231.043 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NDRBKOJQTCWMGZ-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/NDRBKOJQTCWMGZ-UHFFFAOYSA-N/CHMO0000630
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:36:33.949559
MetadataModified 2024-09-08T04:36:33.949564
MetadataPublished 2024-08-30
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000002511019 ZINC
53416597 PubChem
The data in this table is sourced from UniChem at EBI.