Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C22H24O/c1-15-18(13-14-21(15)23)20-8-6-5-7-19(20)16-9-11-17(12-10-16)22(2,3)4/h5-12H,13-14H2,1-4H3
SMILES O=C1CCC(=C1C)c1ccccc1c1ccc(cc1)C(C)(C)C
InChI Key GGLJNMCNGTYZME-UHFFFAOYSA-N
Exact Mass 304.425 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GGLJNMCNGTYZME-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/GGLJNMCNGTYZME-UHFFFAOYSA-N/CHMO0000595
Version
Author Thorsten Bach
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-24
Related Molecule
  • nfdi4chem-mol7935 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    177693422 pubchem
    The data in this table is sourced from UniChem at EBI.