Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H8N6S/c1-4-10(13-11(5-1)16-20-17-13)12-8-19(18-15-12)9-3-2-6-14-7-9/h1-8H
SMILES c1ccc(cn1)n1nnc(c1)c1cccc2c1nsn2
InChI Key LVWZJQCFPPRQPR-UHFFFAOYSA-N
Molecular Formula C13H8N6S
Exact Mass 280.308 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LVWZJQCFPPRQPR-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/LVWZJQCFPPRQPR-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 4-(1-pyridin-3-yltriazol-4-yl)-2,1,3-benzothiadiazole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453724 PubChem
    The data in this table is sourced from UniChem at EBI.