Dataset

one-dimensional nuclear Overhauser enhancement spectroscopy (1D NOESY)

dataset for one-dimensional nuclear Overhauser enhancement spectroscopy (1D NOESY)

Chemical Information

molecular Image
InChI InChI=1S/C18H12O3/c19-15-11-14(12-7-3-1-4-8-12)17(20)18(21)16(15)13-9-5-2-6-10-13/h1-11,21H
SMILES O=C1C=C(c2ccccc2)C(=O)C(=C1c1ccccc1)O
InChI Key GXMJKXBNCXNACS-UHFFFAOYSA-N
Molecular Formula C18H12O3
Exact Mass 276.286 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GXMJKXBNCXNACS-UHFFFAOYSA-N/CHMO0000724
License URL
Source https://www.chemotion-repository.net/inchikey/GXMJKXBNCXNACS-UHFFFAOYSA-N/CHMO0000724
Version
Author Anja Schueffler
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-03
Related Molecule
  • 3-hydroxy-2,5-diphenylcyclohexa-2,5-diene-1,4-dione
    • Field Value
    Measurement Technique one-dimensional nuclear Overhauser enhancement spectroscopy
    Measurement Variables
    Date : 2022-09-09

    Starting time : 16:48:22 UTC

    label : JCL-49

    id : 132108

    Solvent used for referencing : DMSO

    temperature : 294.0009 K

    PULPROG : noesygpphpp

    number of scans : 4 scans

    instrument : spect

    Name : TopSpin

    Version : 3.6.4

    Data-Source Molecule ID Data-Source
    85801055 PubChem
    ZINC000014448985 ZINC
    SCHEMBL17867067 SureChEMBL
    The data in this table is sourced from UniChem at EBI.