Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
SMILES CCCCCC=C
InChI Key ZGEGCLOFRBLKSE-UHFFFAOYSA-N
Molecular Formula C7H14
Exact Mass 98.186 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZGEGCLOFRBLKSE-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/ZGEGCLOFRBLKSE-UHFFFAOYSA-N/CHMO0001148
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • hept-1-ene
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    title : JBA-1-Hepten

    date : 20240719

    starting time : 1.46 h

    label : CCP-3577

    id : 317558

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : hmbcgpndqf

    number of scans : 8 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    CHEBI:186747 chebi
    LMFA11000319 lipidmaps
    1592350 surechembl
    22178 surechembl
    11610 pubchem
    O748KJ11V7 fdasrs
    164404 brenda
    175074 brenda
    Molport-001-756-619 molport
    The data in this table is sourced from UniChem at EBI.