Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H5ClF3NO/c9-6-3-1-5(2-4-6)7(13-14)8(10,11)12/h1-4,14H/b13-7-
SMILES O/N=C(\C(F)(F)F)/c1ccc(cc1)Cl
InChI Key DHFHLGPVGBSNLI-QPEQYQDCSA-N
Molecular Formula C8H5ClF3NO
Exact Mass 223.580 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DHFHLGPVGBSNLI-QPEQYQDCSA-N/NMR/1H/CDCl3/250.1
License URL
Source https://www.chemotion-repository.net/inchikey/DHFHLGPVGBSNLI-QPEQYQDCSA-N/NMR/1H/CDCl3/250.1
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-09-23
Related Molecule
  • (NZ)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    9799906 surechembl
    5484598 pubchem
    The data in this table is sourced from UniChem at EBI.