Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C26H18F15NO3/c1-44-11-12-45-13-42-16-10-6-5-9-15(16)17(18(42)14-7-3-2-4-8-14)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h2-10H,11-13H2,1H3
SMILES COCCOCn1c(c2ccccc2)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 WQIWYFYIBZMFIJ-UHFFFAOYSA-N
Molecular Formula C26H18F15NO3
Exact Mass 677.402 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WQIWYFYIBZMFIJ-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/WQIWYFYIBZMFIJ-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-[1-(2-methoxyethoxymethyl)-2-phenylindol-3-yl]octan-1-one
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889702 PubChem
    The data in this table is sourced from UniChem at EBI.