Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3
SMILES CCCC#C
InChI Key IBXNCJKFFQIKKY-UHFFFAOYSA-N
Molecular Formula C5H8
Exact Mass 68.117 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IBXNCJKFFQIKKY-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/IBXNCJKFFQIKKY-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-01
Related Molecule
  • pent-1-yne
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Title : SG-CCP-3669

    Date : 20231128

    Start time : 2.57 h

    Label : CCP-3499

    ID : 285730

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : deptsp135

    Number of scans : 256

    Instrument : spect

    Data-Source Molecule ID Data-Source
    12309 PubChem
    15321013 PubChem: Thomson Pharma
    627-19-0 ACToR
    492475 eMolecules
    10005629 NMRShiftDB
    SCHEMBL56198 SureChEMBL
    CB9414651 ChemicalBook
    J43.570H Nikkaji
    ZINC000002031638 ZINC
    DTXSID7060835 EPA CompTox Dashboard
    CHEMBL16262 ChEMBL
    The data in this table is sourced from UniChem at EBI.