Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
SMILES C[C@@H](c1ccccc1)O
InChI Key WAPNOHKVXSQRPX-ZETCQYMHSA-N
Molecular Formula C8H10O
Exact Mass 122.164 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WAPNOHKVXSQRPX-ZETCQYMHSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/WAPNOHKVXSQRPX-ZETCQYMHSA-N/CHMO0000595
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • (1S)-1-phenylethanol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:16346 chebi
    SS1 rcsb_pdb
    CHEMBL348446 chembl
    7144 surechembl
    443135 pubchem
    2MIC4QLY2X fdasrs
    PD054520 probes_and_drugs
    GURZUQ CCDC
    107796 brenda
    215872 brenda
    233218 brenda
    37889 brenda
    4333 brenda
    49404 brenda
    69661 brenda
    Molport-001-793-460 molport
    The data in this table is sourced from UniChem at EBI.