Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C5H6BBrO2S/c1-3-4(7)2-5(10-3)6(8)9/h2,8-9H,1H3
SMILES OB(c1cc(c(s1)C)Br)O
InChI Key CVCCYVWSTHTZFM-UHFFFAOYSA-N
Molecular Formula C5H6BBrO2S
Exact Mass 220.880 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CVCCYVWSTHTZFM-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/CVCCYVWSTHTZFM-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (4-bromo-5-methylthiophen-2-yl)boronic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2186108 surechembl
    12184011 pubchem
    Molport-015-143-313 molport
    The data in this table is sourced from UniChem at EBI.