Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C8H7FO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H3
SMILES O=Cc1ccc(c(c1)C)F
InChI Key NRFKZFFVTGGEQF-UHFFFAOYSA-N
Molecular Formula C8H7FO
Exact Mass 138.139 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NRFKZFFVTGGEQF-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/NRFKZFFVTGGEQF-UHFFFAOYSA-N/CHMO0000599
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-28
Related Molecule
  • 4-fluoro-3-methylbenzaldehyde
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : CCP-3825

    date : 20250214

    starting time : 10.59 h

    label : CCP-3669

    id : 344562

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    29642252 surechembl
    336067 surechembl
    2734874 pubchem
    Molport-016-635-049 molport
    The data in this table is sourced from UniChem at EBI.