Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H14O6/c1-3-5-19-11-7-10(14(17)18)12(20-6-4-2)8-9(11)13(15)16/h3-4,7-8H,1-2,5-6H2,(H,15,16)(H,17,18)
SMILES C=CCOc1cc(C(=O)O)c(cc1C(=O)O)OCC=C
InChI Key XQJAVEMHUDLYIT-UHFFFAOYSA-N
Molecular Formula C14H14O6
Exact Mass 278.257 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XQJAVEMHUDLYIT-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/XQJAVEMHUDLYIT-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2,5-bis(prop-2-enoxy)terephthalic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    8168167 surechembl
    15358987 pubchem
    Molport-049-215-868 molport
    The data in this table is sourced from UniChem at EBI.