Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
SMILES COC(c1ccccc1)OC
InChI Key HEVMDQBCAHEHDY-UHFFFAOYSA-N
Molecular Formula C9H12O2
Exact Mass 152.190 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HEVMDQBCAHEHDY-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/HEVMDQBCAHEHDY-UHFFFAOYSA-N/CHMO0000593
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-06
Related Molecule
  • dimethoxymethylbenzene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : GH_1125-88-8_CDCl3

    date : 20240715

    starting time : 8.53 h

    label : GEH-54

    id : 118994

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 8 scans

    instrument : spect

    title : GH_1125-88-8

    date : 20240715

    starting time : 7.48 h

    label : GEH-54

    id : 118994

    Solvent : DMSO

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 8 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    CHEBI:179257 chebi
    26689 surechembl
    62375 pubchem
    W6T83K35CA fdasrs
    HMDB0041326 hmdb
    Molport-001-767-904 molport
    The data in this table is sourced from UniChem at EBI.