Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H15N3O/c1-12(2,3)11(16)13-10-8-6-4-5-7-9(8)14-15-10/h4-7H,1-3H3,(H2,13,14,15,16)
SMILES O=C(C(C)(C)C)Nc1n[nH]c2c1cccc2
InChI Key WUGBREKOSOPIBZ-UHFFFAOYSA-N
Molecular Formula C12H15N3O
Exact Mass 217.267 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WUGBREKOSOPIBZ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/WUGBREKOSOPIBZ-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • N-(1H-indazol-3-yl)-2,2-dimethylpropanamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    60740694 PubChem
    The data in this table is sourced from UniChem at EBI.