Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H17BrO2S/c1-5-19-16(18)15-8-13(11(4)20-15)12-6-10(3)14(17)7-9(12)2/h6-8H,5H2,1-4H3
SMILES CCOC(=O)c1sc(c(c1)c1cc(C)c(cc1C)Br)C
InChI Key DMUOHKUJVVFWET-UHFFFAOYSA-N
Molecular Formula C16H17BrO2S
Exact Mass 353.274 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DMUOHKUJVVFWET-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/DMUOHKUJVVFWET-UHFFFAOYSA-N/CHMO0000593
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-05
Related Molecule
  • ethyl 4-(4-bromo-2,5-dimethylphenyl)-5-methylthiophene-2-carboxylate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453755 pubchem
    The data in this table is sourced from UniChem at EBI.