Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H11N5O2/c1-9(19)20-8-10-7-18(17-16-10)13-6-14-11-4-2-3-5-12(11)15-13/h2-7H,8H2,1H3
SMILES CC(=O)OCc1nnn(c1)c1cnc2c(n1)cccc2
InChI Key DGJCBVVQEVQILV-UHFFFAOYSA-N
Molecular Formula C13H11N5O2
Exact Mass 269.259 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DGJCBVVQEVQILV-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/DGJCBVVQEVQILV-UHFFFAOYSA-N/CHMO0000630
Version
Author Chloé Liagre
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • (1-quinoxalin-2-yltriazol-4-yl)methyl acetate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162623367 PubChem
    The data in this table is sourced from UniChem at EBI.