Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C18H15FO4/c1-21-14-9-16(22-2)15-8-12(18(20)23-17(15)10-14)7-11-3-5-13(19)6-4-11/h3-6,8-10H,7H2,1-2H3
SMILES COc1cc(OC)cc2c1cc(Cc1ccc(cc1)F)c(=O)o2
InChI Key MBTZMVKQSWOARS-UHFFFAOYSA-N
Molecular Formula C18H15FO4
Exact Mass 314.308 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MBTZMVKQSWOARS-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/MBTZMVKQSWOARS-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 3-[(4-fluorophenyl)methyl]-5,7-dimethoxychromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453590 PubChem
    The data in this table is sourced from UniChem at EBI.