Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C25H15F16NO/c1-2-11-42-15-6-4-3-5-14(15)16(17(42)12-7-9-13(26)10-8-12)18(43)19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)41/h3-10H,2,11H2,1H3
SMILES CCCn1c(c2ccc(cc2)F)c(c2c1cccc2)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key JTWMUOKHSWMGAZ-UHFFFAOYSA-N
Molecular Formula C25H15F16NO
Exact Mass 649.367 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JTWMUOKHSWMGAZ-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/JTWMUOKHSWMGAZ-UHFFFAOYSA-N/CHMO0000597
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-15
Related Molecule
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-[2-(4-fluorophenyl)-1-propylindol-3-yl]octan-1-one
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889725 PubChem
    The data in this table is sourced from UniChem at EBI.