Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C16H20O2/c1-4-5-6-7-13-10-14-11(2)8-9-12(3)15(14)18-16(13)17/h8-10H,4-7H2,1-3H3
SMILES CCCCCc1cc2c(C)ccc(c2oc1=O)C
InChI Key UIZKHLJWMZEWHJ-UHFFFAOYSA-N
Molecular Formula C16H20O2
Exact Mass 244.329 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UIZKHLJWMZEWHJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/UIZKHLJWMZEWHJ-UHFFFAOYSA-N/CHMO0000593
Version
Author Florian Mohr
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-03-01
Related Molecule
  • 5,8-dimethyl-3-pentylchromen-2-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453679 PubChem
    The data in this table is sourced from UniChem at EBI.