Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-/m0/s1
SMILES C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cccc2)O
InChI Key KMPWYEUPVWOPIM-QAMTZSDWSA-N
Molecular Formula C19H22N2O
Exact Mass 294.391 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KMPWYEUPVWOPIM-QAMTZSDWSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/KMPWYEUPVWOPIM-QAMTZSDWSA-N/CHMO0001146
Version
Author Johannes Liermann
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-12-02
Related Molecule
  • (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    90454 PubChem
    60032698 NMRShiftDB
    14800210 PubChem: Thomson Pharma
    V43X79NZCD FDA SRS
    14824982 PubChem: Thomson Pharma
    PD046021 ProbesDrugs
    1012601 eMolecules
    30316123 eMolecules
    MTBLC27509 Metabolights
    ZINC000003881680 ZINC
    SCHEMBL158394 SureChEMBL
    MCULE-5498373209 Mcule
    27509 ChEBI
    CHEMBL588619 ChEMBL
    CINCHO CCDC
    J2.475I Nikkaji
    HY-Y0152 MedChemExpress
    50370411 BindingDB
    29390005 eMolecules
    The data in this table is sourced from UniChem at EBI.