Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C13H14O3/c1-13(2)7-6-9-8-10(12(14)15-3)4-5-11(9)16-13/h4-8H,1-3H3
SMILES COC(=O)c1ccc2c(c1)C=CC(O2)(C)C
InChI Key BVQOOKUOYKXECX-UHFFFAOYSA-N
Molecular Formula C13H14O3
Exact Mass 218.248 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BVQOOKUOYKXECX-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/BVQOOKUOYKXECX-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Nicole Volz
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-26
Related Molecule
  • methyl 2,2-dimethylchromene-6-carboxylate
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5316881 PubChem
    85155564 PubChem: Thomson Pharma
    60070617 NMRShiftDB
    ZINC000015119468 ZINC
    SCHEMBL11398330 SureChEMBL
    CHEMBL489132 ChEMBL
    DTXSID60415712 EPA CompTox Dashboard
    J1.006.316G Nikkaji
    The data in this table is sourced from UniChem at EBI.