Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C18H24O4/c1-4-6-7-8-9-13-10-15-16(20-3)11-14(21-5-2)12-17(15)22-18(13)19/h10-12H,4-9H2,1-3H3
SMILES CCCCCCc1cc2c(OC)cc(cc2oc1=O)OCC
InChI Key NSHPQKDJICKLAZ-UHFFFAOYSA-N
Molecular Formula C18H24O4
Exact Mass 304.381 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NSHPQKDJICKLAZ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/NSHPQKDJICKLAZ-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 7-ethoxy-3-hexyl-5-methoxychromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453636 PubChem
    The data in this table is sourced from UniChem at EBI.