Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C16H12N6.ClH/c17-12-5-3-4-11(8-12)15-10-22(21-20-15)16-9-18-13-6-1-2-7-14(13)19-16;/h1-10H,17H2;1H
SMILES [NH3+]c1cccc(c1)c1nnn(c1)c1cnc2c(n1)cccc2.[Cl-]
InChI Key KUVSJEDELBLMHP-UHFFFAOYSA-N
Molecular Formula C16H13ClN6
Exact Mass 324.768 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KUVSJEDELBLMHP-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/KUVSJEDELBLMHP-UHFFFAOYSA-N/CHMO0000630
Version
Author Chloé Liagre
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • 3-(1-quinoxalin-2-yl-2H-triazol-1-ium-4-yl)aniline;chloride
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162623364 PubChem
    The data in this table is sourced from UniChem at EBI.