Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H5ClF15N3O/c17-7-8(34-6-4-2-1-3-5(6)33-7)35-9(36)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)32/h1-4H,(H,34,35,36)
SMILES O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Nc1nc2ccccc2nc1Cl
InChI Key MUJBJGJPXJYYLG-UHFFFAOYSA-N
Molecular Formula C16H5ClF15N3O
Exact Mass 575.659 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MUJBJGJPXJYYLG-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/MUJBJGJPXJYYLG-UHFFFAOYSA-N/CHMO0000597
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-12-26
Related Molecule
  • N-(3-chloroquinoxalin-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162369942 PubChem
    The data in this table is sourced from UniChem at EBI.