Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H8N2O4/c1-14-8-3-2-6(10(12)13)4-7(8)9-5-11/h2-5H,1H3,(H,9,11)
SMILES O=CNc1cc(ccc1OC)[N+](=O)[O-]
InChI Key WMFURCICLSTGEJ-UHFFFAOYSA-N
Molecular Formula C8H8N2O4
Exact Mass 196.160 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WMFURCICLSTGEJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/WMFURCICLSTGEJ-UHFFFAOYSA-N/CHMO0000593
Version
Author Lena J. Daumann
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-02
Related Molecule
  • N-(2-methoxy-5-nitrophenyl)formamide
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    30384717 surechembl
    5226315 surechembl
    264510 pubchem
    DTXSID50295101 comptox
    The data in this table is sourced from UniChem at EBI.