Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C10H12BrNO/c1-6-4-9(11)5-7(2)10(6)12-8(3)13/h4-5H,1-3H3,(H,12,13)
SMILES CC(=O)Nc1c(C)cc(cc1C)Br
InChI Key YDYWLULGRRSFLV-UHFFFAOYSA-N
Molecular Formula C10H12BrNO
Exact Mass 242.112 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YDYWLULGRRSFLV-UHFFFAOYSA-N/1HNMR
License URL
Source https://www.chemotion-repository.net/inchikey/YDYWLULGRRSFLV-UHFFFAOYSA-N/1HNMR
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-09-10
Related Molecule
  • N-(4-bromo-2,6-dimethylphenyl)acetamide
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1601877 surechembl
    880635 pubchem
    Molport-002-086-431 molport
    The data in this table is sourced from UniChem at EBI.