Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C13H19BO2/c1-10-6-8-11(9-7-10)14-15-12(2,3)13(4,5)16-14/h6-9H,1-5H3
SMILES Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
InChI Key GKSSEDDAXXEPCP-UHFFFAOYSA-N
Exact Mass 218.100 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GKSSEDDAXXEPCP-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/GKSSEDDAXXEPCP-UHFFFAOYSA-N/CHMO0000596
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-04-10
Related Molecule
  • 4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Date : 2026-04-08

    Start time : 17:18:39 UTC

    Creator : Sylvia Vanderheiden-Schroen

    Solvent : CDCl3

    Temperature : 298.002791780061 K K

    Puls programme : deptsp90

    Number of scans : 256

    Instrument : Avance NEO 400

    Name : TopSpin

    Data-Source Molecule ID Data-Source
    64653 surechembl
    2774016 pubchem
    HOTKIL CCDC
    DTXSID90378841 comptox
    Molport-000-158-615 molport
    The data in this table is sourced from UniChem at EBI.