Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C19H23N3/c1-3-4-13-22-18-15(2)9-8-12-17(18)19(21-22)20-14-16-10-6-5-7-11-16/h5-12H,3-4,13-14H2,1-2H3,(H,20,21)
SMILES CCCCn1nc(c2c1c(C)ccc2)NCc1ccccc1
InChI Key SGRXMHUVMDLZPO-UHFFFAOYSA-N
Molecular Formula C19H23N3
Exact Mass 293.406 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SGRXMHUVMDLZPO-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/SGRXMHUVMDLZPO-UHFFFAOYSA-N/IR
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-01-11
Related Molecule
  • ~{N}-benzyl-1-butyl-7-methylindazol-3-amine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    135564205 PubChem
    The data in this table is sourced from UniChem at EBI.