Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H19NO2S/c1-3-5-11-13(18)14-15(19-4-2)17-16(20-14)12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3
SMILES CCCCC(=O)c1sc(nc1OCC)c1ccccc1
InChI Key ABSYTDGSQMUQGE-UHFFFAOYSA-N
Molecular Formula C16H19NO2S
Exact Mass 289.393 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ABSYTDGSQMUQGE-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ABSYTDGSQMUQGE-UHFFFAOYSA-N/CHMO0000593
Version
Author Eric Täuscher
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-12
Related Molecule
  • 1-(4-ethoxy-2-phenyl-1,3-thiazol-5-yl)pentan-1-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    date : 23.11.2022

    starting time : 14:39

    creator : Seemann

    operator : Seemann

    label : PhCOEtCOButyl

    Type of sample preparation : dissolve

    Solvent : chloroform-D1 (CDCl3)

    solvent_amount : 0,5ml

    temperature : 20 °C

    number of scans : 16 scans

    instrument : Bruker Spectrospin 300MHz

    Data-Source Molecule ID Data-Source
    169452719 PubChem
    The data in this table is sourced from UniChem at EBI.