Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/ZGEGCLOFRBLKSE-UHFFFAOYSA-N/CHMO0001146
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 single quantum coherence
    Measurement Variables
    title : JBA-1-Hepten

    date : 20240719

    starting time : 1.17 h

    label : CCP-3577

    id : 317558

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.1 K

    PULPROG : hsqcedetgp

    number of scans : 2 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    MCULE-5868303078 Mcule
    11610 PubChem
    SCHEMBL22178 SureChEMBL
    O748KJ11V7 FDA SRS
    164404 Brenda
    175074 Brenda
    CB7378609 ChemicalBook
    492952 eMolecules
    15170442 PubChem: Thomson Pharma
    68526-53-4 ACToR
    60019438 NMRShiftDB
    186747 ChEBI
    592-76-7 ACToR
    ZINC000001699515 ZINC
    DTXSID2060466 EPA CompTox Dashboard
    J6.763F Nikkaji
    LMFA11000319 LipidMaps
    The data in this table is sourced from UniChem at EBI.