Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H13NO2/c1-13-5-4-9-2-3-10(6-12(9)13)14-7-11-8-15-11/h2-6,11H,7-8H2,1H3
SMILES Cn1ccc2c1cc(OCC1CO1)cc2
InChI Key ROFNRWMBUUTHOF-UHFFFAOYSA-N
Molecular Formula C12H13NO2
Exact Mass 203.237 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ROFNRWMBUUTHOF-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/ROFNRWMBUUTHOF-UHFFFAOYSA-N/CHMO0000630
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-22
Related Molecule
  • 1-methyl-6-(oxiran-2-ylmethoxy)indole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146098516 PubChem
    The data in this table is sourced from UniChem at EBI.