Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H17N7/c1-9(2)20-8-19-11-12(17-7-18-13(11)20)15-4-3-10-5-14-6-16-10/h5-9H,3-4H2,1-2H3,(H,14,16)(H,15,17,18)
SMILES CC(n1cnc2c1ncnc2NCCc1nc[nH]c1)C
InChI Key XQPQVJCRSFETLW-UHFFFAOYSA-N
Molecular Formula C13H17N7
Exact Mass 271.321 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XQPQVJCRSFETLW-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/XQPQVJCRSFETLW-UHFFFAOYSA-N/IR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • N-[2-(1H-imidazol-5-yl)ethyl]-9-propan-2-ylpurin-6-amine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427279 PubChem
    The data in this table is sourced from UniChem at EBI.