Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C18H10F17N3O/c19-11(20,5-6-39-10-9(36)37-7-3-1-2-4-8(7)38-10)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h1-4H,5-6H2,(H2,36,37)
SMILES Nc1nc2ccccc2nc1OCCC(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 VVNPRYRWMNIXCI-UHFFFAOYSA-N
Molecular Formula C18H10F17N3O
Exact Mass 607.264 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VVNPRYRWMNIXCI-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/VVNPRYRWMNIXCI-UHFFFAOYSA-N/CHMO0000597
Version
Author Chloé Liagre
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • 3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)quinoxalin-2-amine
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162623386 PubChem
    The data in this table is sourced from UniChem at EBI.