Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C10H14O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-8,11-12H,1-2H3
SMILES CC(c1ccc(cc1)C(O)C)O
InChI Key BHCGGVIVFXWATI-UHFFFAOYSA-N
Molecular Formula C10H14O2
Exact Mass 166.217 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BHCGGVIVFXWATI-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/BHCGGVIVFXWATI-UHFFFAOYSA-N/CHMO0000595
Version
Author Isabelle Wessely
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-03-17
Related Molecule
  • 1-[4-(1-hydroxyethyl)phenyl]ethanol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    40655 surechembl
    325945 pubchem
    69693 brenda
    DTXSID40315605 comptox
    Molport-002-132-334 molport
    The data in this table is sourced from UniChem at EBI.