Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C11H7N3O3/c15-10-5-2-1-3-7-8(5)6(4-12-7)9(11(16)17)13-14-10/h1-4,12H,(H,14,15)(H,16,17)
SMILES OC(=O)C1=NNC(=O)c2c3c1c[nH]c3ccc2
InChI Key DRRJDSUMVPRFOC-UHFFFAOYSA-N
Molecular Formula C11H7N3O3
Exact Mass 229.192 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DRRJDSUMVPRFOC-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/DRRJDSUMVPRFOC-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Andreas Link
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-14
Related Molecule
  • 9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaene-12-carboxylic acid
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : FP

    date : 20210428

    starting time : 10.49

    label : CWG-139

    id : 112058

    Solvent : DMSO

    temperature : 298.1 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    172399889 pubchem
    The data in this table is sourced from UniChem at EBI.