Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C25H23N3/c1-18-2-14-23(15-3-18)28-25(17-26-27-28)24-16-21-9-8-19-4-6-20(7-5-19)10-12-22(24)13-11-21/h2-7,11,13-17H,8-10,12H2,1H3
SMILES Cc1ccc(cc1)n1nncc1c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key WQFLLTDMTNWARE-UHFFFAOYSA-N
Molecular Formula C25H23N3
Exact Mass 365.470 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WQFLLTDMTNWARE-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/WQFLLTDMTNWARE-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 1-(4-methylphenyl)-5-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)triazole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145915834 PubChem
    The data in this table is sourced from UniChem at EBI.