Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C30H17F16NO2/c1-49-21-14-9-17(10-15-21)6-11-19-4-2-3-5-22(19)47(16-18-7-12-20(31)13-8-18)23(48)24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)30(44,45)46/h2-5,7-10,12-15H,16H2,1H3
SMILES COc1ccc(cc1)C#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)Cc1ccc(cc1)F
InChI Key HGXCOINYNHMKOI-UHFFFAOYSA-N
Molecular Formula C30H17F16NO2
Exact Mass 727.436 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HGXCOINYNHMKOI-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/HGXCOINYNHMKOI-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-[(4-fluorophenyl)methyl]-N-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]octanamide
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889722 PubChem
    The data in this table is sourced from UniChem at EBI.