Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H8N2O3/c15-12(9-5-7-13-8-6-9)10-3-1-2-4-11(10)14(16)17/h1-8H
SMILES O=C(c1ccccc1[N+](=O)[O-])c1ccncc1
InChI Key FELKZUPMPWDZKJ-UHFFFAOYSA-N
Molecular Formula C12H8N2O3
Exact Mass 228.204 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FELKZUPMPWDZKJ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/FELKZUPMPWDZKJ-UHFFFAOYSA-N/CHMO0000595
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-04-30
Related Molecule
  • (2-nitrophenyl)-pyridin-4-ylmethanone
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL6644387 SureChEMBL
    14005181 PubChem
    The data in this table is sourced from UniChem at EBI.