Dataset

1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)

dataset for 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2/t12-,13-,18+,19-/m0/s1
SMILES C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(O)cc2)O
InChI Key VJFMSYZSFUWQPZ-WXPXUSHHSA-N
Molecular Formula C19H22N2O2
Exact Mass 310.390 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VJFMSYZSFUWQPZ-WXPXUSHHSA-N/CHMO0001149
License URL
Source https://www.chemotion-repository.net/inchikey/VJFMSYZSFUWQPZ-WXPXUSHHSA-N/CHMO0001149
Version
Author Johannes Liermann
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-28
Related Molecule
  • 4-[(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol
    • Field Value
    Measurement Technique 1H–15N heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000004215479 ZINC
    11587639 PubChem
    16690134 PubChem: Thomson Pharma
    60032707 NMRShiftDB
    CB01176643 ChemicalBook
    24714926 PubChem: Drugs of the Future
    SCHEMBL18194485 SureChEMBL
    The data in this table is sourced from UniChem at EBI.