Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2
SMILES OCCCCCCCCCCO
InChI Key FOTKYAAJKYLFFN-UHFFFAOYSA-N
Molecular Formula C10H22O2
Exact Mass 174.280 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FOTKYAAJKYLFFN-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/FOTKYAAJKYLFFN-UHFFFAOYSA-N/CHMO0000593
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • decane-1,10-diol
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    496536 eMolecules
    37153 PubChem
    14772637 PubChem: Thomson Pharma
    112-47-0 ACToR
    5I577UDK52 FDA SRS
    48391 Brenda
    CB5417700 ChemicalBook
    SCHEMBL27054 SureChEMBL
    DTXSID3059420 EPA CompTox Dashboard
    ZINC000001758367 ZINC
    J10.105B Nikkaji
    WESTIX CCDC
    1,10-DECANEDIOL rxnorm
    MCULE-3187467810 Mcule
    The data in this table is sourced from UniChem at EBI.