Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C4H9NO2/c1-4(6)5(2)7-3/h1-3H3
SMILES CON(C(=O)C)C
InChI Key OYVXVLSZQHSNDK-UHFFFAOYSA-N
Exact Mass 103.120 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OYVXVLSZQHSNDK-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/OYVXVLSZQHSNDK-UHFFFAOYSA-N/CHMO0000599
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-22
Related Molecule
  • N-methoxy-N-methylacetamide
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    date : 2025-11-19

    starting time : 18:41:32 UTC

    creator : Simone Gräßle

    label : CCP-3767

    id : 396245

    Solvent : CDCl3

    temperature : 297.985006003424 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : Avance NEO 400

    Name : TopSpin

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.