Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C20H19ClO4/c1-3-8-24-16-11-18(23-2)17-10-14(20(22)25-19(17)12-16)9-13-4-6-15(21)7-5-13/h4-7,10-12H,3,8-9H2,1-2H3
SMILES CCCOc1cc(OC)c2c(c1)oc(=O)c(c2)Cc1ccc(cc1)Cl
InChI Key YJUTTWPYVSUNQJ-UHFFFAOYSA-N
Molecular Formula C20H19ClO4
Exact Mass 358.815 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YJUTTWPYVSUNQJ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/YJUTTWPYVSUNQJ-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 3-[(4-chlorophenyl)methyl]-5-methoxy-7-propoxychromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453589 PubChem
    The data in this table is sourced from UniChem at EBI.