Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H18O3/c1-5-6-11-7-12-10(4)13(16)8(2)9(3)14(12)18-15(11)17/h7,16H,5-6H2,1-4H3
SMILES CCCc1cc2c(C)c(O)c(c(c2oc1=O)C)C
InChI Key IETKJRBIHIWTDA-UHFFFAOYSA-N
Molecular Formula C15H18O3
Exact Mass 246.302 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IETKJRBIHIWTDA-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/IETKJRBIHIWTDA-UHFFFAOYSA-N/CHMO0000595
Version
Author Florian Mohr
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-03-01
Related Molecule
  • 6-hydroxy-5,7,8-trimethyl-3-propylchromen-2-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155804314 pubchem
    The data in this table is sourced from UniChem at EBI.