Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C16H20O3/c1-8(2)12-7-13-11(5)14(18-6)9(3)10(4)15(13)19-16(12)17/h7-8H,1-6H3
SMILES COc1c(C)c2cc(C(C)C)c(=O)oc2c(c1C)C
InChI Key SOWWKWJMSOAVNK-UHFFFAOYSA-N
Molecular Formula C16H20O3
Exact Mass 260.328 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SOWWKWJMSOAVNK-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/SOWWKWJMSOAVNK-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 6-methoxy-5,7,8-trimethyl-3-propan-2-ylchromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453801 pubchem
    The data in this table is sourced from UniChem at EBI.