Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H9NO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5H,1-2H3
SMILES COc1ccc(cc1C)[N+](=O)[O-]
InChI Key QOZMIJZYJZQOBV-UHFFFAOYSA-N
Molecular Formula C8H9NO3
Exact Mass 167.162 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QOZMIJZYJZQOBV-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
License URL
Source https://www.chemotion-repository.net/inchikey/QOZMIJZYJZQOBV-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2016-11-25
Related Molecule
  • 1-methoxy-2-methyl-4-nitrobenzene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10644431 eMolecules
    50741-92-9 ACToR
    86771-76-8 ACToR
    CB7499661 ChemicalBook
    DTXSID70198786 EPA CompTox Dashboard
    ZINC000005018780 ZINC
    643520 PubChem
    20037751 NMRShiftDB
    SCHEMBL187136 SureChEMBL
    The data in this table is sourced from UniChem at EBI.