Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C20H14N8/c1-3-10-21-15(8-1)19-17(23-27-25-19)13-6-5-7-14(12-13)18-20(26-28-24-18)16-9-2-4-11-22-16/h1-12H,(H,23,25,27)(H,24,26,28)
SMILES c1ccc(nc1)c1[nH]nnc1c1cccc(c1)c1[nH]nnc1c1ccccn1
InChI Key MUAMZYSBUQADBN-UHFFFAOYSA-N
Molecular Formula C20H14N8
Exact Mass 366.379 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MUAMZYSBUQADBN-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/MUAMZYSBUQADBN-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2-[5-[3-(5-pyridin-2-yl-2H-triazol-4-yl)phenyl]-2H-triazol-4-yl]pyridine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453477 PubChem
    The data in this table is sourced from UniChem at EBI.