Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H13N5O2/c1-2-20-13(19)11-9-18(16-12(11)15-17-14)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
SMILES CCOC(=O)c1cn(nc1N=[N+]=[N-])Cc1ccccc1
InChI Key KCAXRYJMUFAPLD-UHFFFAOYSA-N
Molecular Formula C13H13N5O2
Exact Mass 271.275 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KCAXRYJMUFAPLD-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/KCAXRYJMUFAPLD-UHFFFAOYSA-N/CHMO0000630
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • ethyl 3-azido-1-benzylpyrazole-4-carboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    150781846 pubchem
    The data in this table is sourced from UniChem at EBI.