Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H14Cl2O2S2/c1-8-10(6-14(16)20-8)12(18)4-3-5-13(19)11-7-15(17)21-9(11)2/h6-7H,3-5H2,1-2H3
SMILES O=C(c1cc(sc1C)Cl)CCCC(=O)c1cc(sc1C)Cl
InChI Key YRYNFVOSQUJGMT-UHFFFAOYSA-N
Molecular Formula C15H14Cl2O2S2
Exact Mass 361.306 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YRYNFVOSQUJGMT-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/YRYNFVOSQUJGMT-UHFFFAOYSA-N/CHMO0000593
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-23
Related Molecule
  • 1,5-bis(5-chloro-2-methylthiophen-3-yl)pentane-1,5-dione
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13602654 surechembl
    11728116 pubchem
    Molport-035-684-178 molport
    The data in this table is sourced from UniChem at EBI.