Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C11H12N2O2/c1-6(14)9-3-7-4-11(15-2)8(12)5-10(7)13-9/h3-5,13H,12H2,1-2H3
SMILES COc1cc2cc([nH]c2cc1N)C(=O)C
InChI Key GMQHYVDUNUVNOT-UHFFFAOYSA-N
Molecular Formula C11H12N2O2
Exact Mass 204.225 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GMQHYVDUNUVNOT-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/GMQHYVDUNUVNOT-UHFFFAOYSA-N/CHMO0000630
Version
Author Lena J. Daumann
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-02
Related Molecule
  • 1-(6-amino-5-methoxy-1H-indol-2-yl)ethanone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165416612 PubChem
    The data in this table is sourced from UniChem at EBI.