Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C18H11N7/c1-3-14-16(21-7-5-19-14)9-12(1)18-11-25(24-23-18)13-2-4-15-17(10-13)22-8-6-20-15/h1-11H
SMILES c1cnc2c(n1)ccc(c2)c1nnn(c1)c1ccc2c(c1)nccn2
InChI Key AHOHADFCNOHTQH-UHFFFAOYSA-N
Exact Mass 325.327 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AHOHADFCNOHTQH-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/AHOHADFCNOHTQH-UHFFFAOYSA-N/CHMO0000630
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 6-(1-quinoxalin-6-yltriazol-4-yl)quinoxaline
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172877766 pubchem
    The data in this table is sourced from UniChem at EBI.