Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C7H6Br4O2/c1-12-7(13-2)5(10)3(8)4(9)6(7)11/h1-2H3
SMILES COC1(OC)C(=C(C(=C1Br)Br)Br)Br
InChI Key KYLWWILISUILBZ-UHFFFAOYSA-N
Exact Mass 441.737 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KYLWWILISUILBZ-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/KYLWWILISUILBZ-UHFFFAOYSA-N/CHMO0000596
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-19
Related Molecule
  • 1,2,3,4-tetrabromo-5,5-dimethoxycyclopenta-1,3-diene
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Date : 2025-10-10

    Start time : 00:24:38 UTC

    Creator : Sylvia Vanderheiden-Schroen

    Label : SVS-4033

    ID : 390095

    Solvent : CDCl3

    Temperature : 298.002073162823 K K

    Puls programme : deptsp135

    Number of scans : 256

    Instrument : Avance NEO 400

    Name : TopSpin

    Data-Source Molecule ID Data-Source
    11456830 surechembl
    11293640 pubchem
    The data in this table is sourced from UniChem at EBI.