Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C27H34O3/c1-6-7-8-11-14-27(3,4)22-17-24(29-5)23-16-21(26(28)30-25(23)18-22)15-20-13-10-9-12-19(20)2/h9-10,12-13,16-18H,6-8,11,14-15H2,1-5H3
SMILES CCCCCCC(c1cc(OC)c2c(c1)oc(=O)c(c2)Cc1ccccc1C)(C)C
InChI Key KXADRNQYXUUFPG-UHFFFAOYSA-N
Exact Mass 406.557 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KXADRNQYXUUFPG-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/KXADRNQYXUUFPG-UHFFFAOYSA-N/CHMO0000593
Version
Author Florian Mohr
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-04-28T13:08:02Z
Related Molecule
  • nfdi4chem-mol7244 (Unknown Molecule)
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.