Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C21H11F17N2O3/c22-14(23,5-8-7-42-13(43-8)12-11(6-41)39-9-3-1-2-4-10(9)40-12)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h1-4,6,8,13H,5,7H2
SMILES O=Cc1nc2ccccc2nc1C1OCC(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 IBDTXQKORWUHSR-UHFFFAOYSA-N
Molecular Formula C21H11F17N2O3
Exact Mass 662.296 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IBDTXQKORWUHSR-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/IBDTXQKORWUHSR-UHFFFAOYSA-N/CHMO0000597
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-04-17
Related Molecule
  • 3-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-1,3-dioxolan-2-yl]quinoxaline-2-carbaldehyde
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163197208 PubChem
    The data in this table is sourced from UniChem at EBI.