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/C22H24N4O2/c1-27-17-12-15-16(13-18(17)28-2)21(23-14-8-4-3-5-9-14)25-22-20(15)24-19-10-6-7-11-26(19)22/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,23,25)
SMILES COc1cc2c(NC3CCCCC3)nc3c(c2cc1OC)nc1n3cccc1
InChI Key LIGYTKHHUTXHBA-UHFFFAOYSA-N
Molecular Formula C22H24N4O2
Exact Mass 376.452 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LIGYTKHHUTXHBA-UHFFFAOYSA-N/CHMO0001148.1
License URL
Source https://www.chemotion-repository.net/inchikey/LIGYTKHHUTXHBA-UHFFFAOYSA-N/CHMO0001148.1
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-01-23
Related Molecule
  • N-cyclohexyl-4,5-dimethoxy-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-8-amine
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    166451849 PubChem
    The data in this table is sourced from UniChem at EBI.