Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C36H39N9/c1-22(2)34(40-43-37)28-13-7-25(8-14-28)31-19-32(26-9-15-29(16-10-26)35(23(3)4)41-44-38)21-33(20-31)27-11-17-30(18-12-27)36(24(5)6)42-45-39/h7-24,34-36H,1-6H3
SMILES CC(C(c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(C(C)C)N=[N+]=[N-])c1ccc(cc1)C(C(C)C)N=[N+]=[N-])N=[N+]=[N-])C
InChI Key OYOIZIPRNOIBCB-UHFFFAOYSA-N
Molecular Formula C36H39N9
Exact Mass 597.755 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OYOIZIPRNOIBCB-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/OYOIZIPRNOIBCB-UHFFFAOYSA-N/CHMO0000630
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-01
Related Molecule
  • 1,3,5-tris[4-(1-azido-2-methylpropyl)phenyl]benzene
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    166638635 pubchem
    The data in this table is sourced from UniChem at EBI.