Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C21H18FN7/c1-27(2)19-9-5-16(6-10-19)20-14-29(26-24-20)21-17(11-23)13-28(25-21)12-15-3-7-18(22)8-4-15/h3-10,13-14H,12H2,1-2H3
SMILES N#Cc1cn(nc1n1nnc(c1)c1ccc(cc1)N(C)C)Cc1ccc(cc1)F
InChI Key UIXMTYDHDCHVFR-UHFFFAOYSA-N
Molecular Formula C21H18FN7
Exact Mass 387.413 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UIXMTYDHDCHVFR-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/UIXMTYDHDCHVFR-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-fluorophenyl)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.