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/C28H31N7O/c1-4-5-6-7-8-11-16-36-28-27(31-22-12-9-10-13-23(22)32-28)35-18-26(33-34-35)21-14-15-24-25(17-21)30-20(3)19(2)29-24/h9-10,12-15,17-18H,4-8,11,16H2,1-3H3
SMILES CCCCCCCCOc1nc2ccccc2nc1n1nnc(c1)c1ccc2c(c1)nc(c(n2)C)C
InChI Key BPSWDDBKDTWGAK-UHFFFAOYSA-N
Exact Mass 481.592 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BPSWDDBKDTWGAK-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/BPSWDDBKDTWGAK-UHFFFAOYSA-N/CHMO0001146
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 2,3-dimethyl-6-[1-(3-octoxyquinoxalin-2-yl)triazol-4-yl]quinoxaline
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172877773 pubchem
    The data in this table is sourced from UniChem at EBI.