Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H30O3/c1-5-6-7-8-9-10-13-17(19)14(18)11-12-15(17)20-16(2,3)4/h11-12,15,19H,5-10,13H2,1-4H3/t15-,17-/m0/s1
SMILES CCCCCCCC[C@@]1(O)[C@H](C=CC1=O)OC(C)(C)C
InChI Key TUCAXGNMUKBIKE-RDJZCZTQSA-N
Molecular Formula C17H30O3
Exact Mass 282.418 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TUCAXGNMUKBIKE-RDJZCZTQSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/TUCAXGNMUKBIKE-RDJZCZTQSA-N/CHMO0000593
Version
Author Toni Ditfe
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-16
Related Molecule
  • (4S,5R)-5-hydroxy-4-[(2-methylpropan-2-yl)oxy]-5-octylcyclopent-2-en-1-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165416635 pubchem
    The data in this table is sourced from UniChem at EBI.