Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H10O3/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-6H,1-2H3
SMILES O=Cc1c(OC)cccc1OC
InChI Key WXSGQHKHUYTJNB-UHFFFAOYSA-N
Exact Mass 166.174 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WXSGQHKHUYTJNB-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/WXSGQHKHUYTJNB-UHFFFAOYSA-N/CHMO0000593
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-20
Related Molecule
  • 2,6-dimethoxybenzaldehyde
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : FAS-3392-97-0

    date : 20240522

    starting time : 11.40 h

    label : FAS-124

    id : 117349

    Solvent : DMSO

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    title : FAS-3392-97-0

    date : 20240522

    starting time : 11.33 h

    label : FAS-124

    id : 117349

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    170690 surechembl
    96404 pubchem
    54P7CG8V99 fdasrs
    LIZLAJ CCDC
    128273 brenda
    Molport-001-763-244 molport
    The data in this table is sourced from UniChem at EBI.