Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C15H14N4/c1-12-6-5-9-14(16-12)15-11-19(18-17-15)10-13-7-3-2-4-8-13/h2-9,11H,10H2,1H3
SMILES Cc1cccc(n1)c1nnn(c1)Cc1ccccc1
InChI Key CTZVEKYVQDCREH-UHFFFAOYSA-N
Molecular Formula C15H14N4
Exact Mass 250.298 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CTZVEKYVQDCREH-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/CTZVEKYVQDCREH-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2-(1-benzyltriazol-4-yl)-6-methylpyridine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL15984801 SureChEMBL
    90367964 PubChem
    J3.460.352I Nikkaji
    The data in this table is sourced from UniChem at EBI.