Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C29H15F16NO/c30-17-12-10-15(11-13-17)14-46-19-9-5-4-8-18(19)20(21(46)16-6-2-1-3-7-16)22(47)23(31,32)24(33,34)25(35,36)26(37,38)27(39,40)28(41,42)29(43,44)45/h1-13H,14H2
SMILES Fc1ccc(cc1)Cn1c(c2ccccc2)c(c2c1cccc2)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key QOXYOJVMQMEDIX-UHFFFAOYSA-N
Molecular Formula C29H15F16NO
Exact Mass 697.410 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QOXYOJVMQMEDIX-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/QOXYOJVMQMEDIX-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-1-[1-[(4-fluorophenyl)methyl]-2-phenylindol-3-yl]octan-1-one
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889701 PubChem
    The data in this table is sourced from UniChem at EBI.