Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C31H19F17N4O2/c1-14-16(50-18-7-3-2-6-17(18)49-14)10-11-21-22(52-20-9-5-4-8-19(20)51-21)23-53-13-15(54-23)12-24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)30(44,45)31(46,47)48/h2-11,15,23H,12-13H2,1H3/b11-10+
SMILES Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1C1OCC(O1)CC(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 DBNVVGCBNDLOJC-ZHACJKMWSA-N
Molecular Formula C31H19F17N4O2
Exact Mass 802.481 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DBNVVGCBNDLOJC-ZHACJKMWSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/DBNVVGCBNDLOJC-ZHACJKMWSA-N/CHMO0000597
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-04-17
Related Molecule
  • 2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-1,3-dioxolan-2-yl]-3-[(E)-2-(3-methylquinoxalin-2-yl)ethenyl]quinoxaline
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163197182 PubChem
    The data in this table is sourced from UniChem at EBI.