Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H10BrNO/c1-8(15)14-12-7-6-11(13)9-4-2-3-5-10(9)12/h2-7H,1H3,(H,14,15)
SMILES CC(=O)Nc1ccc(c2c1cccc2)Br
InChI Key KAVKNHPXAMTURG-UHFFFAOYSA-N
Molecular Formula C12H10BrNO
Exact Mass 264.118 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KAVKNHPXAMTURG-UHFFFAOYSA-N/13CNMR
License URL
Source https://www.chemotion-repository.net/inchikey/KAVKNHPXAMTURG-UHFFFAOYSA-N/13CNMR
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-09-10
Related Molecule
  • N-(4-bromonaphthalen-1-yl)acetamide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1408731 chembl
    30064828 surechembl
    6835642 surechembl
    236431 pubchem
    Molport-001-767-704 molport
    The data in this table is sourced from UniChem at EBI.