Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C29H15F15N2O3/c30-23(31,24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)44)22(47)45(16-18-11-14-20(15-12-18)46(48)49)21-9-5-4-8-19(21)13-10-17-6-2-1-3-7-17/h1-9,11-12,14-15H,16H2
SMILES [O-][N+](=O)c1ccc(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#Cc1ccccc1
InChI Key ITXYNAXQYYNFOZ-UHFFFAOYSA-N
Molecular Formula C29H15F15N2O3
Exact Mass 724.417 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ITXYNAXQYYNFOZ-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/ITXYNAXQYYNFOZ-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-N-[(4-nitrophenyl)methyl]-N-[2-(2-phenylethynyl)phenyl]octanamide
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889688 PubChem
    The data in this table is sourced from UniChem at EBI.