Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C19H34O3/c1-5-6-7-8-9-10-11-12-13-17-16(20)14-15-18(21-17)22-19(2,3)4/h14-15,17-18H,5-13H2,1-4H3/t17-,18?/m0/s1
SMILES CCCCCCCCCC[C@@H]1OC(C=CC1=O)OC(C)(C)C
InChI Key KLVPWNXZZLQNQO-ZENAZSQFSA-N
Molecular Formula C19H34O3
Exact Mass 310.471 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KLVPWNXZZLQNQO-ZENAZSQFSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/KLVPWNXZZLQNQO-ZENAZSQFSA-N/CHMO0000593
Version
Author Toni Ditfe
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-16
Related Molecule
  • (6S)-6-decyl-2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165416637 pubchem
    The data in this table is sourced from UniChem at EBI.