Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H19NO2/c1-11(2)15-7-6-12-4-5-13(10-14(12)15)17-9-8-16-3/h4-7,10-11H,8-9H2,1-3H3
SMILES COCCOc1ccc2c(c1)n(cc2)C(C)C
InChI Key ZVJFHSSZXWFKTI-UHFFFAOYSA-N
Molecular Formula C14H19NO2
Exact Mass 233.306 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZVJFHSSZXWFKTI-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/ZVJFHSSZXWFKTI-UHFFFAOYSA-N/CHMO0000630
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-07-31
Related Molecule
  • 6-(2-methoxyethoxy)-1-propan-2-ylindole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL20655542 SureChEMBL
    137421318 PubChem
    The data in this table is sourced from UniChem at EBI.