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/C17H21N5O/c1-12(2)8-16(23)22-11-15-10-21(19-17(15)18-20-22)9-14-6-4-13(3)5-7-14/h4-7,10,12H,8-9,11H2,1-3H3
SMILES CC(CC(=O)N1N=Nc2c(C1)cn(n2)Cc1ccc(cc1)C)C
InChI Key KEQOQOHNHBUGFW-UHFFFAOYSA-N
Molecular Formula C17H21N5O
Exact Mass 311.382 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KEQOQOHNHBUGFW-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/KEQOQOHNHBUGFW-UHFFFAOYSA-N/CHMO0001148
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-07-11
Related Molecule
  • 3-methyl-1-[6-[(4-methylphenyl)methyl]-4H-pyrazolo[3,4-d]triazin-3-yl]butan-1-one
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155928564 PubChem
    The data in this table is sourced from UniChem at EBI.