Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Information

molecular Image
InChI InChI=1S/C24H18F17N3O/c1-2-3-6-12-11-42-15-16(43-13-7-4-5-8-14(13)44(12)15)45-10-9-17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)41/h4-5,7-8,11H,2-3,6,9-10H2,1H3
SMILES CCCCc1cnc2n1c1ccccc1nc2OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key ICMDLGQTBHAPKS-UHFFFAOYSA-N
Molecular Formula C24H18F17N3O
Exact Mass 687.392 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ICMDLGQTBHAPKS-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/ICMDLGQTBHAPKS-UHFFFAOYSA-N/CHMO0000597
Version
Author Chloé Liagre
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • 1-butyl-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)imidazo[1,2-a]quinoxaline
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162623400 PubChem
    The data in this table is sourced from UniChem at EBI.