Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H15Br2NO/c1-8(2)6(10)5(13)7(11)9(3,4)12-8/h6-7,12H,1-4H3
SMILES BrC1C(=O)C(Br)C(NC1(C)C)(C)C
InChI Key SMSQRKIBWOTIMI-UHFFFAOYSA-N
Molecular Formula C9H15Br2NO
Exact Mass 313.029 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SMSQRKIBWOTIMI-UHFFFAOYSA-N/NMR/13C/DMSO/100
License URL
Source https://www.chemotion-repository.net/inchikey/SMSQRKIBWOTIMI-UHFFFAOYSA-N/NMR/13C/DMSO/100
Version
Author Isabelle Wessely
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 3,5-dibromo-2,2,6,6-tetramethylpiperidin-4-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    9596969 surechembl
    89252 pubchem
    The data in this table is sourced from UniChem at EBI.