Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C22H17BrF2N2/c23-18-12-14-4-8-16(18)9-5-15-7-11-17(10-6-14)21(13-15)26-27-22-19(24)2-1-3-20(22)25/h1-4,7-8,11-13H,5-6,9-10H2/b27-26+
SMILES Fc1cccc(c1/N=N/c1cc2ccc1CCc1ccc(CC2)c(c1)Br)F
InChI Key OTKUMVPKUYFCDX-CYYJNZCTSA-N
Molecular Formula C22H17BrF2N2
Exact Mass 427.285 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OTKUMVPKUYFCDX-CYYJNZCTSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/OTKUMVPKUYFCDX-CYYJNZCTSA-N/CHMO0000630
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:05:33.379628
MetadataModified 2024-09-08T04:05:33.379635
MetadataPublished 2024-07-10
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables