Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3
SMILES CCOC(OCC)OCC
InChI Key GKASDNZWUGIAMG-UHFFFAOYSA-N
Molecular Formula C7H16O3
Exact Mass 148.200 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GKASDNZWUGIAMG-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/GKASDNZWUGIAMG-UHFFFAOYSA-N/CHMO0000593
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-12
Related Molecule
  • diethoxymethoxyethane
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1476236 chembl
    18928 surechembl
    31214 pubchem
    355LRR361Q fdasrs
    HMDB0259190 hmdb
    Molport-000-871-980 molport
    The data in this table is sourced from UniChem at EBI.