Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C26H23FN2O4/c1-14-23(28-24(30)15-8-10-16(27)11-9-15)22-20(12-17(32-2)13-21(22)33-3)26(14)19-7-5-4-6-18(19)25(31)29-26/h4-14,23H,1-3H3,(H,28,30)(H,29,31)/t14-,23-,26+/m1/s1
SMILES COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccc(cc1)F)C
InChI Key AWMSQAWTIORNKD-CHBPNCHNSA-N
Molecular Formula C26H23FN2O4
Exact Mass 446.470 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AWMSQAWTIORNKD-CHBPNCHNSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/AWMSQAWTIORNKD-CHBPNCHNSA-N/CHMO0000597
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-15
Related Molecule
  • N-[(1R,2R,3R)-5,7-dimethoxy-2-methyl-3'-oxospiro[1,2-dihydroindene-3,1'-2H-isoindole]-1-yl]-4-fluorobenzamide
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    169452732 PubChem
    The data in this table is sourced from UniChem at EBI.