Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H11BrN2O2/c15-11-5-4-10-12-8(11)2-1-3-9(12)13(18)17(7-6-16)14(10)19/h1-5H,6-7,16H2
SMILES NCCn1c(=O)c2cccc3c2c(c1=O)ccc3Br
InChI Key RXTDJXDISWDSGQ-UHFFFAOYSA-N
Molecular Formula C14H11BrN2O2
Exact Mass 319.153 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RXTDJXDISWDSGQ-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
License URL
Source https://www.chemotion-repository.net/inchikey/RXTDJXDISWDSGQ-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-05-11
Related Molecule
  • 2-(2-aminoethyl)-6-bromobenzo[de]isoquinoline-1,3-dione
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL2385927 chembl
    28781801 surechembl
    45921378 pubchem
    Molport-028-601-718 molport
    The data in this table is sourced from UniChem at EBI.