Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C29H14F17NO/c30-19-11-6-16(7-12-19)5-10-18-3-1-2-4-21(18)47(15-17-8-13-20(31)14-9-17)22(48)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46/h1-4,6-9,11-14H,15H2
SMILES Fc1ccc(cc1)CN(C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccccc1C#Cc1ccc(cc1)F
InChI Key XKUDYHRZHNKRFI-UHFFFAOYSA-N
Molecular Formula C29H14F17NO
Exact Mass 715.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XKUDYHRZHNKRFI-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/XKUDYHRZHNKRFI-UHFFFAOYSA-N/CHMO0000593.1
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-N-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-N-[(4-fluorophenyl)methyl]octanamide
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889715 PubChem
    The data in this table is sourced from UniChem at EBI.