Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C21H14O3/c22-18-14-6-2-4-8-16(14)20(24)21-11-12(9-10-17(18)21)13-5-1-3-7-15(13)19(21)23/h1-8,10,12H,9,11H2/t12-,21+/m1/s1
SMILES O=C1c2ccccc2C(=O)[C@]23C1=CC[C@H](C2)c1c(C3=O)cccc1
InChI Key IKYAJDXLFUIGJJ-GTJPDFRWSA-N
Molecular Formula C21H14O3
Exact Mass 314.334 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IKYAJDXLFUIGJJ-GTJPDFRWSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/IKYAJDXLFUIGJJ-GTJPDFRWSA-N/CHMO0000593
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • (1S,13R)-pentacyclo[11.7.1.01,10.03,8.014,19]henicosa-3,5,7,10,14,16,18-heptaene-2,9,20-trione
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146035854 pubchem
    UYUHEE CCDC
    The data in this table is sourced from UniChem at EBI.