Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C15H15F2N5/c1-9(2)22-8-21-13-14(19-7-20-15(13)22)18-6-10-11(16)4-3-5-12(10)17/h3-5,7-9H,6H2,1-2H3,(H,18,19,20)
SMILES CC(n1cnc2c1ncnc2NCc1c(F)cccc1F)C
InChI Key SJMISYYGKQCAKA-UHFFFAOYSA-N
Molecular Formula C15H15F2N5
Exact Mass 303.310 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SJMISYYGKQCAKA-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/SJMISYYGKQCAKA-UHFFFAOYSA-N/IR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • N-[(2,6-difluorophenyl)methyl]-9-propan-2-ylpurin-6-amine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427478 pubchem
    The data in this table is sourced from UniChem at EBI.