Dataset

1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)

dataset for 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)

Chemical Information

molecular Image
InChI InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19-,20+/m0/s1
SMILES CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O
InChI Key LJOQGZACKSYWCH-WZBLMQSHSA-N
Molecular Formula C20H26N2O2
Exact Mass 326.433 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LJOQGZACKSYWCH-WZBLMQSHSA-N/CHMO0001151
License URL
Source https://www.chemotion-repository.net/inchikey/LJOQGZACKSYWCH-WZBLMQSHSA-N/CHMO0001151
Version
Author Johannes Liermann
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-12-02
Related Molecule
  • (R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
    • Field Value
    Measurement Technique 1H–1H nuclear Overhauser enhancement spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000000389626 ZINC
    DTXSID70878516 EPA CompTox Dashboard
    MTBLC135994 Metabolights
    SCHEMBL109600 SureChEMBL
    31J3Q51T6L FDA SRS
    PD072019 ProbesDrugs
    15372048 PubChem: Thomson Pharma
    121515 PubChem
    25721979 eMolecules
    CHEMBL588934 ChEMBL
    135994 ChEBI
    4570 DrugCentral
    TEKCAP CCDC
    HY-42034 MedChemExpress
    DB13718 DrugBank
    CB1473146 ChemicalBook
    The data in this table is sourced from UniChem at EBI.