Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-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-BIPCEHGGSA-N
Molecular Formula C19H22N2O2
Exact Mass 310.390 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VJFMSYZSFUWQPZ-BIPCEHGGSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/VJFMSYZSFUWQPZ-BIPCEHGGSA-N/CHMO0001148
Version
Author Johannes Liermann
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-29
Related Molecule
  • 4-[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73J76E056V FDA SRS
    SCHEMBL2332994 SureChEMBL
    60032709 NMRShiftDB
    524-63-0 ACToR
    16524138 PubChem: Thomson Pharma
    DTXSID30878416 EPA CompTox Dashboard
    ZINC000004097180 ZINC
    92792 PubChem
    J3.150.665D Nikkaji
    The data in this table is sourced from UniChem at EBI.