Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C9H9N3O/c1-6(13)10-9-7-4-2-3-5-8(7)11-12-9/h2-5H,1H3,(H2,10,11,12,13)
SMILES CC(=O)Nc1n[nH]c2c1cccc2
InChI Key VCFLLXDSOODEGV-UHFFFAOYSA-N
Molecular Formula C9H9N3O
Exact Mass 175.187 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VCFLLXDSOODEGV-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/VCFLLXDSOODEGV-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • N-(1H-indazol-3-yl)acetamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    628880 surechembl
    12913048 pubchem
    The data in this table is sourced from UniChem at EBI.