Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H10BrNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3,(H,11,12)
SMILES CCNC(=O)c1ccccc1Br
InChI Key DWCBZUWYUAIEEP-UHFFFAOYSA-N
Molecular Formula C9H10BrNO
Exact Mass 228.086 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DWCBZUWYUAIEEP-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
License URL
Source https://www.chemotion-repository.net/inchikey/DWCBZUWYUAIEEP-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-05-06
Related Molecule
  • 2-bromo-N-ethylbenzamide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    V86 rcsb_pdb
    6427422 surechembl
    3450992 pubchem
    Molport-001-767-712 molport
    The data in this table is sourced from UniChem at EBI.