Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H9NO2/c1-2-7-15-12(14)10-3-4-11-9(8-10)5-6-13-11/h1,3-6,8,13H,7H2
SMILES C#CCOC(=O)c1ccc2c(c1)cc[nH]2
InChI Key RHXBIEGIAXHFGN-UHFFFAOYSA-N
Molecular Formula C12H9NO2
Exact Mass 199.205 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RHXBIEGIAXHFGN-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/RHXBIEGIAXHFGN-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • prop-2-ynyl 1H-indole-5-carboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91683888 pubchem
    The data in this table is sourced from UniChem at EBI.