Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H18O2/c1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18/h3-12,17-18H,1-2H3
SMILES CC(c1ccc(cc1)c1ccc(cc1)C(O)C)O
InChI Key RANXIKJMWBYSGV-UHFFFAOYSA-N
Molecular Formula C16H18O2
Exact Mass 242.313 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RANXIKJMWBYSGV-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/RANXIKJMWBYSGV-UHFFFAOYSA-N/CHMO0000595
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-26
Related Molecule
  • 1-[4-[4-(1-hydroxyethyl)phenyl]phenyl]ethanol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    618022 PubChem
    SCHEMBL7524578 SureChEMBL
    16059011 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.