Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H15NO2/c15-7-11-5-10-3-4-12(6-13(10)14-11)16-8-9-1-2-9/h3-6,9,14-15H,1-2,7-8H2
SMILES OCc1cc2c([nH]1)cc(cc2)OCC1CC1
InChI Key LUENMAYUYMFEPN-UHFFFAOYSA-N
Molecular Formula C13H15NO2
Exact Mass 217.264 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LUENMAYUYMFEPN-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/LUENMAYUYMFEPN-UHFFFAOYSA-N/CHMO0000630
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-07-31
Related Molecule
  • [6-(cyclopropylmethoxy)-1H-indol-2-yl]methanol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL3626472 SureChEMBL
    57608295 PubChem
    The data in this table is sourced from UniChem at EBI.