Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C16H18O/c1-12(2)16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16-17H,1-2H3
SMILES CC(C(c1ccc(cc1)c1ccccc1)O)C
InChI Key VJPZDHHSRNEGKG-UHFFFAOYSA-N
Molecular Formula C16H18O
Exact Mass 226.314 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VJPZDHHSRNEGKG-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/VJPZDHHSRNEGKG-UHFFFAOYSA-N/CHMO0000630
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-26
Related Molecule
  • 2-methyl-1-(4-phenylphenyl)propan-1-ol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    17878528 surechembl
    12190886 pubchem
    Molport-013-998-044 molport
    The data in this table is sourced from UniChem at EBI.