Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10H
SMILES O=Cc1cc(O)ccc1[N+](=O)[O-]
InChI Key XLYPHUGUKGMURE-UHFFFAOYSA-N
Molecular Formula C7H5NO4
Exact Mass 167.119 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XLYPHUGUKGMURE-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/XLYPHUGUKGMURE-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 5-hydroxy-2-nitrobenzaldehyde
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16044699 PubChem: Thomson Pharma
    SCHEMBL1014901 SureChEMBL
    521331 eMolecules
    42454-06-8 ACToR
    ZINC000034766253 ZINC
    CB3318890 ChemicalBook
    VA926Z93IF FDA SRS
    DTXSID8022290 EPA CompTox Dashboard
    39211 PubChem
    UGIXUF CCDC
    20032286 NMRShiftDB
    MCULE-2966837418 Mcule
    The data in this table is sourced from UniChem at EBI.