Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C11H9NO/c1-2-7-13-10-3-4-11-9(8-10)5-6-12-11/h1,3-6,8,12H,7H2
SMILES C#CCOc1ccc2c(c1)cc[nH]2
InChI Key UOMBOZOHHCAYNA-UHFFFAOYSA-N
Molecular Formula C11H9NO
Exact Mass 171.195 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UOMBOZOHHCAYNA-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/UOMBOZOHHCAYNA-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 5-prop-2-ynoxy-1H-indole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL6350835 SureChEMBL
    123058611 PubChem: Thomson Pharma
    15765704 PubChem
    J1.312.491D Nikkaji
    The data in this table is sourced from UniChem at EBI.