Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C7H11IO2/c1-3-6(8)5-7(9)10-4-2/h5H,3-4H2,1-2H3/b6-5-
SMILES CCOC(=O)/C=C(/CC)\I
InChI Key UMGNNXNTJUGOMF-WAYWQWQTSA-N
Molecular Formula C7H11IO2
Exact Mass 254.066 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UMGNNXNTJUGOMF-WAYWQWQTSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/UMGNNXNTJUGOMF-WAYWQWQTSA-N/IR
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • ethyl (Z)-3-iodopent-2-enoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    6553901 surechembl
    10491127 pubchem
    The data in this table is sourced from UniChem at EBI.