Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C24H20N6O4/c1-33-23(31)17-7-3-15(4-8-17)21-11-20(14-28-30-26)22(12-19(21)13-27-29-25)16-5-9-18(10-6-16)24(32)34-2/h3-12H,13-14H2,1-2H3
SMILES COC(=O)c1ccc(cc1)c1cc(CN=[N+]=[N-])c(cc1CN=[N+]=[N-])c1ccc(cc1)C(=O)OC
InChI Key HHUCQMBKBNWOLY-UHFFFAOYSA-N
Molecular Formula C24H20N6O4
Exact Mass 456.453 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HHUCQMBKBNWOLY-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/HHUCQMBKBNWOLY-UHFFFAOYSA-N/IR
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • methyl 4-[2,5-bis(azidomethyl)-4-(4-methoxycarbonylphenyl)phenyl]benzoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427283 PubChem
    The data in this table is sourced from UniChem at EBI.