Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C16H20O3/c1-6-7-12-8-13-11(4)14(18-5)9(2)10(3)15(13)19-16(12)17/h8H,6-7H2,1-5H3
SMILES CCCc1cc2c(C)c(OC)c(c(c2oc1=O)C)C
InChI Key UBWZLOPDHGEVCS-UHFFFAOYSA-N
Molecular Formula C16H20O3
Exact Mass 260.328 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UBWZLOPDHGEVCS-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/UBWZLOPDHGEVCS-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-propylchromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453828 pubchem
    The data in this table is sourced from UniChem at EBI.