Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C25H21FO2/c26-22-14-7-19(8-15-22)9-16-23(27)24-20-10-5-17-1-3-18(4-2-17)6-11-21(13-12-20)25(24)28/h1-4,7-9,12-16,28H,5-6,10-11H2/b16-9+
SMILES Fc1ccc(cc1)/C=C/C(=O)c1c2ccc(c1O)CCc1ccc(CC2)cc1
InChI Key HEDCWQHRQGQTCH-CXUHLZMHSA-N
Molecular Formula C25H21FO2
Exact Mass 372.431 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HEDCWQHRQGQTCH-CXUHLZMHSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/HEDCWQHRQGQTCH-CXUHLZMHSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:14:33.316845
MetadataModified 2024-09-07T15:19:04.447387
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
UFUVEY CCDC
72698108 PubChem
The data in this table is sourced from UniChem at EBI.