Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C18H12O4/c19-13-8-6-11(7-9-13)14-10-15(20)16(18(22)17(14)21)12-4-2-1-3-5-12/h1-10,19,22H
SMILES Oc1ccc(cc1)C1=CC(=O)C(=C(C1=O)O)c1ccccc1
InChI Key HLFCRNGNTFLPPX-UHFFFAOYSA-N
Molecular Formula C18H12O4
Exact Mass 292.285 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HLFCRNGNTFLPPX-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/HLFCRNGNTFLPPX-UHFFFAOYSA-N/CHMO0000595
Version
Author Anja Schueffler
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-03
Related Molecule
  • 3-hydroxy-5-(4-hydroxyphenyl)-2-phenylcyclohexa-2,5-diene-1,4-dione
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2024-08-17

    Start time : 05:04:59 UTC

    Creator : Johannes Liermann

    Label : JCL-54

    ID : 132113

    Solvent : DMSO

    Temperature : 294.0009 K K

    Puls programme : zgpg30

    Number of scans : 20480

    Instrument : spect

    Name : TopSpin

    Version : 3.7.0

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.