Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C19H18O/c20-19(16-9-4-2-1-3-5-10-16)18-13-12-15-8-6-7-11-17(15)14-18/h1-2,6-8,10-14H,3-5,9H2/b2-1-,16-10+
SMILES O=C(c1ccc2c(c1)cccc2)C1=CCCC=CCC1
InChI Key UFOHWFDKFHWJDJ-FXSGEKTPSA-N
Molecular Formula C19H18O
Exact Mass 262.346 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UFOHWFDKFHWJDJ-FXSGEKTPSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/UFOHWFDKFHWJDJ-FXSGEKTPSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • [(1E,5Z)-cycloocta-1,5-dien-1-yl]-naphthalen-2-ylmethanone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453693 pubchem
    The data in this table is sourced from UniChem at EBI.