Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H12O3/c1-11-9(12-2)7-4-3-5-8(10)6-7/h3-6,9-10H,1-2H3
SMILES COC(c1cccc(c1)O)OC
InChI Key CJTUFUALQDKYIB-UHFFFAOYSA-N
Molecular Formula C9H12O3
Exact Mass 168.190 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CJTUFUALQDKYIB-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/CJTUFUALQDKYIB-UHFFFAOYSA-N/CHMO0000593
Version
Author Nilima Manoj Kumar
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-04-14
Related Molecule
  • 3-(dimethoxymethyl)phenol
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL8177814 SureChEMBL
    16361611 PubChem: Thomson Pharma
    11275229 PubChem
    DTXSID40460806 EPA CompTox Dashboard
    J1.620.210J Nikkaji
    The data in this table is sourced from UniChem at EBI.