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/C18H16N8O4/c1-11(27)29-9-13-7-25(23-21-13)17-18(20-16-6-4-3-5-15(16)19-17)26-8-14(22-24-26)10-30-12(2)28/h3-8H,9-10H2,1-2H3
SMILES CC(=O)OCc1nnn(c1)c1nc2ccccc2nc1n1nnc(c1)COC(=O)C
InChI Key GYXXCDTYCRBUHX-UHFFFAOYSA-N
Exact Mass 408.371 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GYXXCDTYCRBUHX-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/GYXXCDTYCRBUHX-UHFFFAOYSA-N/CHMO0001148
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • [1-[3-[4-(acetyloxymethyl)triazol-1-yl]quinoxalin-2-yl]triazol-4-yl]methyl acetate
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172877806 pubchem
    The data in this table is sourced from UniChem at EBI.