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/C14H12BrN11/c1-2-3-4-8-7-24(21-16-8)10-6-12-11(5-9(10)15)25-13(17-19-22-25)14-18-20-23-26(12)14/h5-7H,2-4H2,1H3
SMILES CCCCc1nnn(c1)c1cc2c(cc1Br)n1nnnc1c1n2nnn1
InChI Key YHXRNAYAVLZZJS-UHFFFAOYSA-N
Exact Mass 414.223 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YHXRNAYAVLZZJS-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/YHXRNAYAVLZZJS-UHFFFAOYSA-N/CHMO0001146
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 14-bromo-15-(4-butyltriazol-1-yl)-2,3,4,5,8,9,10,11-octazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.