Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C25H23N3/c1-2-4-22(5-3-1)18-28-25(17-26-27-28)24-16-21-11-10-19-6-8-20(9-7-19)12-14-23(24)15-13-21/h1-9,13,15-17H,10-12,14,18H2
SMILES c1ccc(cc1)Cn1nncc1c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key VXUUDTWOUGAROA-UHFFFAOYSA-N
Molecular Formula C25H23N3
Exact Mass 365.470 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VXUUDTWOUGAROA-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/VXUUDTWOUGAROA-UHFFFAOYSA-N/IR.1
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 1-benzyl-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
    145915836 PubChem
    The data in this table is sourced from UniChem at EBI.