Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C19H21N3O/c1-19(2,3)18(23)20-17-15-11-7-8-12-16(15)22(21-17)13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,21,23)
SMILES O=C(C(C)(C)C)Nc1nn(c2c1cccc2)Cc1ccccc1
InChI Key JXECHVFHNDZNSM-UHFFFAOYSA-N
Molecular Formula C19H21N3O
Exact Mass 307.390 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JXECHVFHNDZNSM-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/JXECHVFHNDZNSM-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • N-(1-benzylindazol-3-yl)-2,2-dimethylpropanamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453856 PubChem
    The data in this table is sourced from UniChem at EBI.