Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C19H25F2N5O2/c1-6-28-19(27)17-10-22-25(11-14-7-15(20)9-16(21)8-14)18(17)23-24-26(12(2)3)13(4)5/h7-10,12-13H,6,11H2,1-5H3/b24-23+
SMILES CCOC(=O)c1cnn(c1/N=N/N(C(C)C)C(C)C)Cc1cc(F)cc(c1)F
InChI Key XCKSGKZXEXJBOY-WCWDXBQESA-N
Molecular Formula C19H25F2N5O2
Exact Mass 393.431 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XCKSGKZXEXJBOY-WCWDXBQESA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/XCKSGKZXEXJBOY-WCWDXBQESA-N/CHMO0000597
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • ethyl 1-[(3,5-difluorophenyl)methyl]-5-[(E)-[di(propan-2-yl)amino]diazenyl]pyrazole-4-carboxylate
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    170459304 pubchem
    The data in this table is sourced from UniChem at EBI.