Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-15H,2-11,13H2,1H3
SMILES CCCCCCCCCCCCC(=O)c1ccco1
InChI Key AUBNJEAJFRJWQJ-UHFFFAOYSA-N
Molecular Formula C17H28O2
Exact Mass 264.403 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AUBNJEAJFRJWQJ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/AUBNJEAJFRJWQJ-UHFFFAOYSA-N/CHMO0000595
Version
Author Toni Ditfe
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-16
Related Molecule
  • 1-(furan-2-yl)tridecan-1-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13464345 PubChem
    J397.286K Nikkaji
    SCHEMBL18825664 SureChEMBL
    The data in this table is sourced from UniChem at EBI.