Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H9F3N8O2/c1-30-16(29)9-4-2-8(3-5-9)14-15(17(18,19)20)24-11-7-13(26-28-22)12(25-27-21)6-10(11)23-14/h2-7H,1H3
SMILES [N-]=[N+]=Nc1cc2nc(c3ccc(cc3)C(=O)OC)c(nc2cc1N=[N+]=[N-])C(F)(F)F
InChI Key KFNATYUQWUQIDP-UHFFFAOYSA-N
Exact Mass 414.301 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KFNATYUQWUQIDP-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/KFNATYUQWUQIDP-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • methyl 4-[6,7-diazido-3-(trifluoromethyl)quinoxalin-2-yl]benzoate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172877757 pubchem
    The data in this table is sourced from UniChem at EBI.