Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C8H2Br2N8/c9-3-1-5-6(2-4(3)10)18-8(12-14-16-18)7-11-13-15-17(5)7/h1-2H
SMILES Brc1cc2c(cc1Br)n1nnnc1c1n2nnn1
InChI Key FXILVISZYVFHRB-UHFFFAOYSA-N
Exact Mass 369.963 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FXILVISZYVFHRB-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/FXILVISZYVFHRB-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 14,15-dibromo-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 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172877781 pubchem
    The data in this table is sourced from UniChem at EBI.