Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C29H14F8N6O4/c1-29(2,11-3-7-13(8-4-11)46-27(44)15-17(30)21(34)25(40-42-38)22(35)18(15)31)12-5-9-14(10-6-12)47-28(45)16-19(32)23(36)26(41-43-39)24(37)20(16)33/h3-10H,1-2H3
SMILES O=C(c1c(F)c(F)c(c(c1F)F)N=[N+]=[N-])Oc1ccc(cc1)C(c1ccc(cc1)OC(=O)c1c(F)c(F)c(c(c1F)F)N=[N+]=[N-])(C)C
InChI Key LFTBPIVRRIXEJP-UHFFFAOYSA-N
Molecular Formula C29H14F8N6O4
Exact Mass 662.446 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LFTBPIVRRIXEJP-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/LFTBPIVRRIXEJP-UHFFFAOYSA-N/CHMO0000597
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-05
Related Molecule
  • [4-[2-[4-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxyphenyl]propan-2-yl]phenyl] 4-azido-2,3,5,6-tetrafluorobenzoate
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    169448338 PubChem
    The data in this table is sourced from UniChem at EBI.