Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C9H7NO3/c10-7-3-5-1-2-6(11)4-8(5)13-9(7)12/h1-4,11H,10H2
SMILES Oc1ccc2c(c1)oc(=O)c(c2)N
InChI Key RQFHTIQNYJDJAH-UHFFFAOYSA-N
Molecular Formula C9H7NO3
Exact Mass 177.157 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RQFHTIQNYJDJAH-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/RQFHTIQNYJDJAH-UHFFFAOYSA-N/IR.1
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-05-12
Related Molecule
  • 3-amino-7-hydroxychromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL1607902 SureChEMBL
    57345854 PubChem
    J2.476.717E Nikkaji
    DTXSID30720986 EPA CompTox Dashboard
    ZINC000072482120 ZINC
    The data in this table is sourced from UniChem at EBI.