Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3
SMILES Cc1cc(C)c(c(c1)C)N
InChI Key KWVPRPSXBZNOHS-UHFFFAOYSA-N
Exact Mass 135.206 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KWVPRPSXBZNOHS-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/KWVPRPSXBZNOHS-UHFFFAOYSA-N/CHMO0000596
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:20:38.608340
MetadataModified 2024-09-23T09:25:45.560096
MetadataPublished 2024-08-07
Related Molecule
  • 2,4,6-trimethylaniline
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Temperature : 300.0 K K

    Puls programme : deptsp135

    Number of scans : 256

    Title : FAS-MesNU2

    Date : 20240727

    Start time : 8.01 h

    Instrument : spect

    Label : CCP-3578

    ID : 318917

    Solvent : chloroform-D1 (CDCl3)

    Data-Source Molecule ID Data-Source
    YIR5CRL5BG FDA SRS
    6913 PubChem
    MCULE-7962867731 Mcule
    SCHEMBL139002 SureChEMBL
    20035541 NMRShiftDB
    CB5410640 ChemicalBook
    15140964 PubChem: Thomson Pharma
    88-05-1 ACToR
    480657 eMolecules
    JALJUC CCDC
    J4.286B Nikkaji
    82545 ChEBI
    ZINC000001555241 ZINC
    DTXSID5043847 EPA CompTox Dashboard
    C19540 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.