Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C9H9NO4/c1-13-8(11)6-3-4-7(10-5-6)9(12)14-2/h3-5H,1-2H3
SMILES COC(=O)c1ccc(cn1)C(=O)OC
InChI Key TUGSJNQAIMFEDY-UHFFFAOYSA-N
Molecular Formula C9H9NO4
Exact Mass 195.172 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TUGSJNQAIMFEDY-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/TUGSJNQAIMFEDY-UHFFFAOYSA-N/IR
Version
Author Joshua Kramer
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • dimethyl pyridine-2,5-dicarboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1412582 chembl
    29508473 surechembl
    69747 surechembl
    234911 pubchem
    29100 brenda
    Molport-000-145-579 molport
    The data in this table is sourced from UniChem at EBI.