Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H14Cl2S2/c1-8-12(6-14(16)18-8)10-4-3-5-11(10)13-7-15(17)19-9(13)2/h6-7H,3-5H2,1-2H3
SMILES Clc1sc(c(c1)C1=C(CCC1)c1cc(sc1C)Cl)C
InChI Key DGZQNPCSQDROIH-UHFFFAOYSA-N
Molecular Formula C15H14Cl2S2
Exact Mass 329.308 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DGZQNPCSQDROIH-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/DGZQNPCSQDROIH-UHFFFAOYSA-N/CHMO0000593
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-23
Related Molecule
  • 5-chloro-3-[2-(5-chloro-2-methylthiophen-3-yl)cyclopenten-1-yl]-2-methylthiophene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4420882 surechembl
    11121030 pubchem
    PAMWUW CCDC
    DTXSID201182451 comptox
    Molport-020-167-419 molport
    The data in this table is sourced from UniChem at EBI.