Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H14N2O3/c1-9-7-11(8-10(2)15-9)14(17)12-5-3-4-6-13(12)16(18)19/h3-8,14,17H,1-2H3
SMILES Cc1cc(cc(n1)C)C(c1ccccc1[N+](=O)[O-])O
InChI Key MKUFXENKLAEJKE-UHFFFAOYSA-N
Molecular Formula C14H14N2O3
Exact Mass 258.273 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MKUFXENKLAEJKE-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/MKUFXENKLAEJKE-UHFFFAOYSA-N/CHMO0000595
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-03
Related Molecule
  • (2,6-dimethylpyridin-4-yl)-(2-nitrophenyl)methanol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    134822680 PubChem
    The data in this table is sourced from UniChem at EBI.