Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C18H20O2/c1-19-13-20-18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-12H,6-8,10,13H2,1H3
SMILES COCOc1cc2ccc1CCc1ccc(CC2)cc1
InChI Key UHUGXCRCENZFRZ-UHFFFAOYSA-N
Molecular Formula C18H20O2
Exact Mass 268.350 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UHUGXCRCENZFRZ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/UHUGXCRCENZFRZ-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 5-(methoxymethoxy)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15791448 PubChem: Thomson Pharma
    10754384 PubChem
    J1.754.610D Nikkaji
    The data in this table is sourced from UniChem at EBI.