Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C22H21N7/c1-16-4-6-17(7-5-16)13-28-14-19(12-23)22(25-28)29-15-21(24-26-29)18-8-10-20(11-9-18)27(2)3/h4-11,14-15H,13H2,1-3H3
SMILES N#Cc1cn(nc1n1nnc(c1)c1ccc(cc1)N(C)C)Cc1ccc(cc1)C
InChI Key PIHYCVSEWQEZEE-UHFFFAOYSA-N
Molecular Formula C22H21N7
Exact Mass 383.449 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PIHYCVSEWQEZEE-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/PIHYCVSEWQEZEE-UHFFFAOYSA-N/CHMO0000604
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • 3-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carbonitrile
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.