Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C21H17N2O3.BrH/c1-25-18-2-3-19-17(12-21(24)26-20(19)13-18)14-23-10-6-16(7-11-23)15-4-8-22-9-5-15;/h2-13H,14H2,1H3;1H/q+1;/p-1
SMILES COc1ccc2c(c1)oc(=O)cc2C[n+]1ccc(cc1)c1ccncc1.[Br-]
InChI Key WFLMEEFLMDVDTP-UHFFFAOYSA-M
Molecular Formula C21H17BrN2O3
Exact Mass 425.275 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WFLMEEFLMDVDTP-UHFFFAOYSA-M/IR
License URL
Source https://www.chemotion-repository.net/inchikey/WFLMEEFLMDVDTP-UHFFFAOYSA-M/IR
Version
Author Hannes Kühner
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-21
Related Molecule
  • 7-methoxy-4-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]chromen-2-one;bromide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.