Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

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/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ZGEGCLOFRBLKSE-UHFFFAOYSA-N/CHMO0000595
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • hept-1-ene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : JBA-1-Hepten

    Date : 20240719

    Start time : 0.38 h

    Label : CCP-3577

    ID : 317558

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

    Title : JBA-1-Hepten

    Date : 20240719

    Start time : 3.22 h

    Label : CCP-3577

    ID : 317558

    Solvent : DMSO

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    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
    DTXSID2060466 comptox
    Molport-001-756-619 molport
    The data in this table is sourced from UniChem at EBI.