Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H11N3O/c1-9(15)13-10-3-5-11(6-4-10)14-8-2-7-12-14/h2-8H,1H3,(H,13,15)
SMILES CC(=O)Nc1ccc(cc1)n1cccn1
InChI Key NYVWCINEVLYKFY-UHFFFAOYSA-N
Molecular Formula C11H11N3O
Exact Mass 201.225 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NYVWCINEVLYKFY-UHFFFAOYSA-N/1HNMR
License URL
Source https://www.chemotion-repository.net/inchikey/NYVWCINEVLYKFY-UHFFFAOYSA-N/1HNMR
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-07-17
Related Molecule
  • N-(4-pyrazol-1-ylphenyl)acetamide
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    39463467 pubchem
    The data in this table is sourced from UniChem at EBI.