Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2
SMILES BrCCCBr
InChI Key VEFLKXRACNJHOV-UHFFFAOYSA-N
Molecular Formula C3H6Br2
Exact Mass 201.888 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VEFLKXRACNJHOV-UHFFFAOYSA-N/CHMO0000595.1
License URL
Source https://www.chemotion-repository.net/inchikey/VEFLKXRACNJHOV-UHFFFAOYSA-N/CHMO0000595.1
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-30
Related Molecule
  • 1,3-dibromopropane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : FAS-Dibrompropan

    Date : 20240419

    Start time : 9.56 h

    Label : FAS-12

    ID : 115897

    Solvent : DMSO

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 256

    Instrument : spect

    title : FAS-Dibrompropan

    date : 20240426

    starting time : 15.13 h

    label : FAS-12

    id : 115897

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    14127278 surechembl
    2175 surechembl
    8001 pubchem
    PAPSOO CCDC
    135391 brenda
    3409 brenda
    YQR3048IX9 fdasrs
    Molport-000-153-905 molport
    The data in this table is sourced from UniChem at EBI.