Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
SMILES CCCCC(CO)CC
InChI Key YIWUKEYIRIRTPP-UHFFFAOYSA-N
Molecular Formula C8H18O
Exact Mass 130.228 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YIWUKEYIRIRTPP-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/YIWUKEYIRIRTPP-UHFFFAOYSA-N/CHMO0000596
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-21
Related Molecule
  • 2-ethylhexan-1-ol
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Date : 2025-11-18

    Start time : 19:15:32 UTC

    Creator : Simone Gräßle

    Label : CCP-3765

    ID : 396217

    Solvent : CDCl3

    Temperature : 298.002252817133 K K

    Puls programme : deptsp90

    Number of scans : 256

    Instrument : Avance NEO 400

    Name : TopSpin

    Data-Source Molecule ID Data-Source
    CHEBI:16011 chebi
    LMFA05000703 lipidmaps
    CHEMBL31637 chembl
    16324 surechembl
    7720 pubchem
    XZV7TAA77P fdasrs
    CACLEB CCDC
    29381 brenda
    HMDB0031231 hmdb
    Molport-001-787-201 molport
    The data in this table is sourced from UniChem at EBI.