Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

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
Molecular Formula C7H4ClFN2
Exact Mass 170.571 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FLYYZEZHBLZQCJ-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/FLYYZEZHBLZQCJ-UHFFFAOYSA-N/CHMO0000604
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 3-chloro-3-(4-fluorophenyl)diazirine
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    title : Feb09-2024

    date : 20240210

    starting time : 20.58 h

    label : KT-707

    id : 294427

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

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