Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H14N4O2/c1-13-7-8-14(2)11(13)12-9-5-3-4-6-10(9)15(16)17/h3-6H,7-8H2,1-2H3
SMILES CN1CCN(C1=Nc1ccccc1[N+](=O)[O-])C
InChI Key JWLJNDDPSHFBOO-UHFFFAOYSA-N
Exact Mass 234.254 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JWLJNDDPSHFBOO-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/JWLJNDDPSHFBOO-UHFFFAOYSA-N/CHMO0000595
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-07-02
Related Molecule
  • 1,3-dimethyl-N-(2-nitrophenyl)imidazolidin-2-imine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : CC-273-4

    Date : 20220113

    Start time : 20.05 h

    Label : CCO-805

    ID : 31432

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.7 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

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