Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H9FO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9H
SMILES Fc1ccc(cc1)C(=O)C(=O)c1ccccc1
InChI Key JKQPFVOJZNRINB-UHFFFAOYSA-N
Exact Mass 228.218 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JKQPFVOJZNRINB-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/JKQPFVOJZNRINB-UHFFFAOYSA-N/CHMO0000630
Version
Author Aleksandra Vranic
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-02-03
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
1480034 surechembl
3625310 pubchem
168060 brenda
Molport-003-703-822 molport
The data in this table is sourced from UniChem at EBI.