Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C20H20O3/c1-12(2)16-9-8-13(3)17-11-15(20(22)23-19(16)17)10-14-6-4-5-7-18(14)21/h4-9,11-12,21H,10H2,1-3H3
SMILES Oc1ccccc1Cc1cc2c(C)ccc(c2oc1=O)C(C)C
InChI Key IXZQVISQAOBMIP-UHFFFAOYSA-N
Molecular Formula C20H20O3
Exact Mass 308.371 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IXZQVISQAOBMIP-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/IXZQVISQAOBMIP-UHFFFAOYSA-N/CHMO0000595
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-10-11
Related Molecule
  • 3-[(2-hydroxyphenyl)methyl]-5-methyl-8-propan-2-ylchromen-2-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168665443 PubChem
    The data in this table is sourced from UniChem at EBI.