Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C4H7BrO2/c1-7-4(6)2-3-5/h2-3H2,1H3
SMILES COC(=O)CCBr
InChI Key KQEVIFKPZOGBMZ-UHFFFAOYSA-N
Exact Mass 167.001 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KQEVIFKPZOGBMZ-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/KQEVIFKPZOGBMZ-UHFFFAOYSA-N/CHMO0000599
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-20
Related Molecule
  • methyl 3-bromopropanoate
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : CCP-3670

    date : 20240123

    starting time : 17.41 h

    label : JAL-2

    id : 111229

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    28699 surechembl
    76934 pubchem
    Y803CH1P4W fdasrs
    Molport-001-780-239 molport
    The data in this table is sourced from UniChem at EBI.