Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C22H12N2O2/c23-11-13-9-19(25)21(17-7-3-1-5-15(13)17)22-18-8-4-2-6-16(18)14(12-24)10-20(22)26/h1-10,25-26H
SMILES N#Cc1cc(O)c(c2c1cccc2)c1c(O)cc(c2c1cccc2)C#N
InChI Key XDOHQPHWJLGTGD-UHFFFAOYSA-N
Molecular Formula C22H12N2O2
Exact Mass 336.343 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XDOHQPHWJLGTGD-UHFFFAOYSA-N/CHMO0000595.1
License URL
Source https://www.chemotion-repository.net/inchikey/XDOHQPHWJLGTGD-UHFFFAOYSA-N/CHMO0000595.1
Version
Author Tobias Sengpiel
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-23
Related Molecule
  • 4-(4-cyano-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-1-carbonitrile
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : TSE-55-BINOL-CN-Dry

    Date : 20230901

    Start time : 15.33 h

    Label : TSE-150

    ID : 274816

    Solvent : DMSO

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

    Data-Source Molecule ID Data-Source
    102300351 pubchem
    The data in this table is sourced from UniChem at EBI.