Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C24H8F12N2/c25-21(26,27)13-3-11(4-14(7-13)22(28,29)30)17-1-2-18(20(10-38)19(17)9-37)12-5-15(23(31,32)33)8-16(6-12)24(34,35)36/h1-8H
SMILES N#Cc1c(C#N)c(ccc1c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI Key YBFUDLAIFSCTMT-UHFFFAOYSA-N
Molecular Formula C24H8F12N2
Exact Mass 552.315 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YBFUDLAIFSCTMT-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/YBFUDLAIFSCTMT-UHFFFAOYSA-N/CHMO0000593
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-07
Related Molecule
  • 3,6-bis[3,5-bis(trifluoromethyl)phenyl]benzene-1,2-dicarbonitrile
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J3.333.175D Nikkaji
    102335597 PubChem
    The data in this table is sourced from UniChem at EBI.