Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C22H15N7O2/c1-14-10-20(25-29(14)17-8-6-15(11-23)7-9-17)28-13-16(24-26-28)12-27-21(30)18-4-2-3-5-19(18)22(27)31/h2-10,13H,12H2,1H3
SMILES N#Cc1ccc(cc1)n1nc(cc1C)n1nnc(c1)CN1C(=O)c2c(C1=O)cccc2
InChI Key DWYBPGPEFGKMQS-UHFFFAOYSA-N
Molecular Formula C22H15N7O2
Exact Mass 409.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DWYBPGPEFGKMQS-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/DWYBPGPEFGKMQS-UHFFFAOYSA-N/CHMO0000630
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • 4-[3-[4-[(1,3-dioxoisoindol-2-yl)methyl]triazol-1-yl]-5-methylpyrazol-1-yl]benzonitrile
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.