Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C10H11NO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3H2,1-2H3
SMILES COc1cc(CC#N)cc(c1)OC
InChI Key UUNRWZQWCNTSCV-UHFFFAOYSA-N
Exact Mass 177.200 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UUNRWZQWCNTSCV-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/UUNRWZQWCNTSCV-UHFFFAOYSA-N/CHMO0000596
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-26
Related Molecule
  • 2-(3,5-dimethoxyphenyl)acetonitrile
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Title : SVS-CCP-2493

    Date : 20240224

    Start time : 6.13 h

    Label : CCP-2385

    ID : 170301

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : deptsp90

    Number of scans : 256

    Instrument : spect

    Data-Source Molecule ID Data-Source
    1046247 surechembl
    139445 pubchem
    Molport-000-154-649 molport
    The data in this table is sourced from UniChem at EBI.