Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C11H13NO2/c1-13-6-7-14-10-3-2-9-4-5-12-11(9)8-10/h2-5,8,12H,6-7H2,1H3
SMILES COCCOc1ccc2c(c1)[nH]cc2
InChI Key SBVYFFZCZSSGTG-UHFFFAOYSA-N
Molecular Formula C11H13NO2
Exact Mass 191.226 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SBVYFFZCZSSGTG-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/SBVYFFZCZSSGTG-UHFFFAOYSA-N/CHMO0000630
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-07-31
Related Molecule
  • 6-(2-methoxyethoxy)-1H-indole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL9983791 SureChEMBL
    67994893 PubChem
    The data in this table is sourced from UniChem at EBI.