Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C21H38O3/c1-5-6-7-8-9-10-11-12-13-14-15-19-18(22)16-17-20(23-19)24-21(2,3)4/h16-17,19-20H,5-15H2,1-4H3/t19-,20?/m1/s1
SMILES CCCCCCCCCCCC[C@H]1OC(C=CC1=O)OC(C)(C)C
InChI Key ZDYYYIGTVOCEMS-FIWHBWSRSA-N
Molecular Formula C21H38O3
Exact Mass 338.525 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZDYYYIGTVOCEMS-FIWHBWSRSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ZDYYYIGTVOCEMS-FIWHBWSRSA-N/CHMO0000595
Version
Author Toni Ditfe
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-16
Related Molecule
  • (6R)-6-dodecyl-2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165416640 pubchem
    The data in this table is sourced from UniChem at EBI.