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/C30H27N3O/c1-34-26-17-15-25(16-18-26)29-30(33-19-3-2-4-28(33)32-29)31-27-20-23-10-9-21-5-7-22(8-6-21)11-13-24(27)14-12-23/h2-8,12,14-20,31H,9-11,13H2,1H3
SMILES COc1ccc(cc1)c1nc2n(c1Nc1cc3CCc4ccc(CCc1cc3)cc4)cccc2
InChI Key UCYNBEZQQPMTAD-UHFFFAOYSA-N
Molecular Formula C30H27N3O
Exact Mass 445.555 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UCYNBEZQQPMTAD-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/UCYNBEZQQPMTAD-UHFFFAOYSA-N/CHMO0001148
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-07-25
Related Molecule
  • 2-(4-methoxyphenyl)-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyridin-3-amine
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889654 PubChem
    The data in this table is sourced from UniChem at EBI.