Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H29BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16/h14H,3-13H2,1-2H3
SMILES CCCCCCCCCCCCOC(=O)C(Br)C
InChI Key RXTSHIDRCASANN-UHFFFAOYSA-N
Molecular Formula C15H29BrO2
Exact Mass 321.294 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RXTSHIDRCASANN-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
License URL
Source https://www.chemotion-repository.net/inchikey/RXTSHIDRCASANN-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-27
Related Molecule
  • dodecyl 2-bromopropanoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15796074 surechembl
    527508 pubchem
    The data in this table is sourced from UniChem at EBI.