Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C 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/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/GKASDNZWUGIAMG-UHFFFAOYSA-N/CHMO0000595
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-12
Related Molecule
  • diethoxymethoxyethane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    355LRR361Q FDA SRS
    122-51-0 ACToR
    14747856 PubChem: Thomson Pharma
    108055-42-1 ACToR
    31214 PubChem
    496370 eMolecules
    CB4126252 ChemicalBook
    MCULE-3222850541 Mcule
    SCHEMBL18928 SureChEMBL
    10016724 NMRShiftDB
    CHEMBL1476236 ChEMBL
    DTXSID8041957 EPA CompTox Dashboard
    HMDB0259190 Human Metabolome Database
    J5.533F Nikkaji
    ZINC000000391827 ZINC
    The data in this table is sourced from UniChem at EBI.