Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C19H18O/c1-13-6-5-7-15(12-13)17-8-3-4-9-18(17)16-10-11-19(20)14(16)2/h3-9,12H,10-11H2,1-2H3
SMILES Cc1cccc(c1)c1ccccc1C1=C(C)C(=O)CC1
InChI Key SGEBRRSLLQTKFR-UHFFFAOYSA-N
Exact Mass 262.346 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SGEBRRSLLQTKFR-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/SGEBRRSLLQTKFR-UHFFFAOYSA-N/CHMO0000595
Version
Author Thorsten Bach
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-24
Related Molecule
  • nfdi4chem-mol1243 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    177693427 pubchem
    The data in this table is sourced from UniChem at EBI.