Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C7H7NO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,8H2,(H,10,11)
SMILES Oc1ccc(c(c1)C(=O)O)N
InChI Key HYNQTSZBTIOFKH-UHFFFAOYSA-N
Molecular Formula C7H7NO3
Exact Mass 153.135 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HYNQTSZBTIOFKH-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/HYNQTSZBTIOFKH-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2-amino-5-hydroxybenzoic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:181437 chebi
    258366 surechembl
    30120212 surechembl
    164592 pubchem
    UF9WW3I410 fdasrs
    105123 brenda
    Molport-001-759-315 molport
    The data in this table is sourced from UniChem at EBI.