Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C26H16F15NO3/c1-15(43)45-13-7-11-17-10-5-6-12-18(17)42(14-16-8-3-2-4-9-16)19(44)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h2-6,8-10,12H,13-14H2,1H3
SMILES CC(=O)OCC#Cc1ccccc1N(C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cc1ccccc1
InChI Key BFJBMPFRZOBDQG-UHFFFAOYSA-N
Molecular Formula C26H16F15NO3
Exact Mass 675.386 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BFJBMPFRZOBDQG-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/BFJBMPFRZOBDQG-UHFFFAOYSA-N/CHMO0000593
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-15
Related Molecule
  • 3-[2-[benzyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]phenyl]prop-2-ynyl acetate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889719 PubChem
    The data in this table is sourced from UniChem at EBI.