Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C21H38O3/c1-5-6-7-8-9-10-11-12-13-14-17-21(23)18(22)15-16-19(21)24-20(2,3)4/h15-16,19,23H,5-14,17H2,1-4H3/t19-,21-/m0/s1
SMILES CCCCCCCCCCCC[C@]1(O)C(=O)C=C[C@@H]1OC(C)(C)C
InChI Key XYTFEHOVKCFNQD-FPOVZHCZSA-N
Molecular Formula C21H38O3
Exact Mass 338.525 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XYTFEHOVKCFNQD-FPOVZHCZSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/XYTFEHOVKCFNQD-FPOVZHCZSA-N/CHMO0000595
Version
Author Toni Ditfe
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-16
Related Molecule
  • (4S,5R)-5-dodecyl-5-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165416623 PubChem
    The data in this table is sourced from UniChem at EBI.