Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C7H4ClFN2/c8-7(10-11-7)5-1-3-6(9)4-2-5/h1-4H
SMILES ClC1(N=N1)c1ccc(cc1)F
InChI Key FLYYZEZHBLZQCJ-UHFFFAOYSA-N
Exact Mass 170.571 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FLYYZEZHBLZQCJ-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/FLYYZEZHBLZQCJ-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:45:09.443775
MetadataModified 2024-09-23T09:24:42.384000
MetadataPublished 2024-05-21
Related Molecule
  • 3-chloro-3-(4-fluorophenyl)diazirine
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    temperature : 298.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    title : Feb09-2024

    date : 20240209

    starting time : 13.11 h

    instrument : Avance NEO

    label : KT-707

    id : 294427

    Solvent : chloroform-D1 (CDCl3)

    Data-Source Molecule ID Data-Source
    21723953 PubChem
    The data in this table is sourced from UniChem at EBI.